2'-Deoxyadenosine supplier

Name
2'-Deoxyadenosine
EINECS 213-488-7
CAS No. 958-09-8
Article Data139
CAS DataBase
Density 1.91 g/cm³
Solubility Soluble in water and caustic soda.
Melting Point 187-189 °C
Formula C₁₀H₁₃N₅O₃
Boiling Point 627.2 °C at 760 mmHg
Molecular Weight 251.245
Flash Point 333.1 °C
Transport Information
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-;b-D-erythro-Pentofuranoside, adenine-9 2-deoxy-;167:PN: US20040053876 SEQID: 167 unclaimed DNA;9-(2-Deoxy-b-D-erythro-pentofuranosyl)adenine;9H-Purin-6-amine,9-(2-deoxy-b-D-erythro-pentofuranosyl)-;9H-Purin-6-amine, 9-(2-deoxy-b-D-ribofuranosyl)-;Adenine deoxyribonucleoside;Adenine deoxyribose;Adenyldeoxyriboside;Deoxyadenosine;Desoxyadenosine;NSC 141848;NSC 143510;NSC 83258;(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanol;9-(2-deoxy-β-D-erythro-pentofuranosyl)-9H-Purin-6-amine;
PSA 119.31000
LogP -0.36960

Synthetic route

: 661463-48-5
Pyridine-2-carboxylic acid [9-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-amide

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonia In water at 20℃; for 0.666667h;	100%

: magnesium hydroxide

: 2,3-dideoxy-α-D-ribose-1-phosphate

: 2-deoxyribose-1-phosphate di(monocyclohexylammonium) salt

: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With sodium hydroxide In water	99%

...Expand

: 59263-38-6
2'-iodo-2'-deoxyadenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With tris-(trimethylsilyl)silane; 2-hydroxyethanethiol In water at 100℃; for 4h;	99%

: 66503-49-9
5'-O-trityl-2'-deoxyadenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With silica gel; trifluoroacetic acid In methanol; chloroform	96%

: N6-(p-methoxybenzyl)-2'-deoxyadenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonium peroxydisulfate; phosphate buffer at 80℃; for 2h;	95%

: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

: 7-methyl-2′-deoxyguanosine hydroiodide

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; Escherichia coli purine nucleoside phosphorylase In aq. buffer at 20℃; for 20h; pH=7.5; Enzymatic reaction;	93%
With potassium dihydrogenphosphate; purine nucleoside phosphatase In water at 45℃; for 16h; pH 7.4;	70%

: 258529-66-7
2'-deoxy-3',5'-O-TIPDS-adenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 5h;	91.2%

: 84828-84-2
2'-Deoxy-3',5'-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)adenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran	90%
With tetrabutyl ammonium fluoride In tetrahydrofuran at 75℃; for 1h;	78%
With tetrabutyl ammonium fluoride Yield given;
With tetrabutyl ammonium fluoride In tetrahydrofuran at 70℃;

: 37113-47-6
(-)-N6-(benzyl)-2'-deoxyadenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonium peroxydisulfate; phosphate buffer at 80℃; for 2h;	88%

: C24H30BN5O7

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With dihydrogen peroxide In aq. phosphate buffer; dimethyl sulfoxide at 20℃; for 0.333333h; pH=7.2;	88%

: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

: 50-89-5
thymidine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With nucleoside deoxyribosyltransferase-II; sodium citrate at 40℃; for 20h; pH=6.4; Enzymatic reaction;	87%
With purine nucleoside phosphorylase; thymidine phosphorylase; phosphoric acid In aq. phosphate buffer at 37℃; for 24h; pH=6.8; Enzymatic reaction;
With recobinant purine nucleoside phosphorylase from Escherichia coli; recombinant thymidine phosphorylase from Escherichia coli In aq. phosphate buffer for 8h; pH=6.8; Catalytic behavior; Kinetics; Reagent/catalyst; Heating; Enzymatic reaction;
With Clostridium perfringens uridine phosphorylase; Aeromonas hydrophila purine nucleosidephosphorylase co-immobilized on glyoxyl-agarose In aq. phosphate buffer at 28℃; under 1034.32 Torr; pH=7.5; Flow reactor; Green chemistry; Enzymatic reaction;

: 42776-78-3
2'-O-tosyladenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With lithium triethylborohydride In tetrahydrofuran at 0 - 5℃; for 3h; Solvent; Inert atmosphere;	86.7%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 10h; Inert atmosphere;	84.6%

: 1427171-08-1
C24H31N5O5

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonium hydroxide In water at 55℃; for 12h; Inert atmosphere;	84%

: 4546-72-9
N6-benzoyl-2'-deoxyadenosine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ethylenediamine at 40℃; for 20h;	83%
With ethylenediamine; phenol at 40℃; for 20h; debenzoylation;	83%
With sodium hydroxide In methanol; water for 0.025h; microwave irradiation;
With ammonium hydroxide In water at 60℃; Rate constant;
With ammonium hydroxide at 55℃; for 5.5h;

: 17039-17-7
2-deoxy–α-D-ribose 1-phosphate

: 73-24-5
7H-purin-6-ylamine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With purine nucleoside phosphorylase	82%

: 2002-35-9
N-6-methyl-2'-deoxyribofuranosil adenine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With manganese(IV) oxide; C17H20N4O9P(1-)*Na(1+); oxygen In water; acetonitrile at 20℃; under 760.051 Torr; for 7h; Irradiation; chemoselective reaction;	79%
With Selectfluor; riboflavin In water; acetonitrile for 3h; Inert atmosphere; UV-irradiation;	60%
With Selectfluor; riboflavin In water; acetonitrile at 37℃; under 760.051 Torr; for 3h; Inert atmosphere; Irradiation;	60%

: 91713-46-1
6-Chloro-9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)purine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonia In methanol at 100℃; for 12h;	78%

: 951-78-0
2'-deoxyuridine

: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With Enterobacter gergoviae CECT 875 in agarose In phosphate buffer at 60℃; for 1h; pH=7.0; Enzymatic reaction;	77%
With Citrobacter koseri In aq. phosphate buffer at 60℃; for 1h; pH=7; Microbiological reaction;	67%
With aeromonas hydrophila CECT 4221 at 60℃; for 4h; pH=7; aq. phosphate buffer; Enzymatic reaction;

: C10H13N5O3S

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With nitric acid In water at 50℃; for 1h;	76%

: 6-heptanoylamido-9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-purine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With sodium methylate In methanol at 20 - 45℃; for 1.16667h;	73%

: 141479-79-0
3'-O-TBDMS-5'-O-TBDPS-2'-deoxyadenosine

A: 51549-31-6
3'-O-(tert-butyldimethylsilyl)-2'-deoxyadenosine

B: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonium fluoride In methanol for 11h; Ambient temperature;	A 72% B 6%

: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

: 7-methyl-2′-deoxyguanosine hydroiodide

A: 578-76-7
7-methylguanine

B: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; purine nucleoside phosphatase In water at 45℃; for 16h; enzymatic synthesis of various β-D-ribo (and desoxyribo) nucleoside analogs; effect of temperature: 25-60 deg C;	A n/a B 70%

...Expand

: 20838-22-6, 130703-07-0
C24H21N5O5

A: 3413-66-9
α-deoxyadenosine

B: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With ammonia In methanol	A 62% B 38%
With ammonia In methanol

: 67-56-1
methanol

: 89178-21-2
2-bromo-2′-deoxyadenosine

A: 24757-70-8
2'-deoxyspongosine

B: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
for 0.5h; Irradiation;	A 58% B 15%

...Expand

: 109285-09-8
(1R)-S-ethyl-1-(6-amino-purin-9-yl)-1,4-anhydro-2-thio-D-arabitol

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With sodium hydroxide; 2-methoxy-ethanol; nickel

: 15731-72-3
2'-deoxyadenosine 3'-monophosphate

A: 179112-93-7
2'-deoxy-inosine

B: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
mit Hilfe eines Enzym-Praeparats aus Darmschleimhaut;

: 951-78-0
2'-deoxyuridine

: 73-24-5
7H-purin-6-ylamine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With nucleoside-deoxyribosyltransferase Nucleosid-Desoxyribosyltransferase aus Lactobacillus helveticus;

: 179112-93-7
2'-deoxy-inosine

: 73-24-5
7H-purin-6-ylamine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With nucleoside-deoxyribosyltransferase Nucleosid-Desoxyribosyltransferase aus Lactobacillus helveticus;

: 961-07-9
2'-Deoxyguanosine

: 73-24-5
7H-purin-6-ylamine

: 958-09-8
2'-deoxy-D-adenosine

Conditions

Conditions	Yield
With nucleoside-deoxyribosyltransferase Nucleosid-Desoxyribosyltransferase aus Lactobacillus helveticus;

: 108-24-7
acetic anhydride

: 958-09-8
2'-deoxy-D-adenosine

: 17318-24-0
3',5'-di-O-acetyl-2'-deoxyadenosine

Conditions

Conditions	Yield
With pyridine; dmap for 4h; Ambient temperature;	100%
With dmap; triethylamine In acetonitrile for 3h;	90%
With pyridine	85%

: 958-09-8
2'-deoxy-D-adenosine

: 3506-01-2
2'-Deoxyadenosine N1-oxide

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In methanol Ambient temperature;	100%
With 3-chloro-benzenecarboperoxoic acid In methanol for 5h; Ambient temperature;	90%
With 3-chloro-benzenecarboperoxoic acid In methanol at 30℃; for 7h;
With 3-chloro-benzenecarboperoxoic acid In methanol; water for 16h; Ambient temperature;
Multi-step reaction with 2 steps 1: 78 percent / 1.) dinitrophenoxyamine, 2.) aq. HCl / dimethylformamide / 24 h / 37 °C 2: 84 percent / hydroxylamine, aq. NaOH / 48 h / 50 °C View Scheme

: 958-09-8
2'-deoxy-D-adenosine

: 14985-44-5
8-bromo-2'-deoxyadenosine

Conditions

Conditions	Yield
With bromine; sodium acetate; acetic acid In water at 20 - 50℃;	100%
With bromine; sodium acetate	88%
With sodium azide; bromoisocyanuric acid monosodium salt In water; N,N-dimethyl-formamide at 20℃; for 0.5h;	88%

: 958-09-8
2'-deoxy-D-adenosine

: 111915-85-6
2'-deoxy-8-deuteroadenosine

Conditions

Conditions	Yield
With water-d2; triethylamine at 65℃; for 65h;	100%
With [(2)H6]acetone; caesium carbonate In N,N-dimethyl-formamide at 80℃; for 1h;	60%
With water-d2 at 90℃; for 5h; Substitution;
With water-d2 at 100℃; for 6h;
With water-d2; triethylamine

: 40615-36-9
4,4'-dimethoxytrityl chloride

: 958-09-8
2'-deoxy-D-adenosine

: 130999-19-8
N6-dimethoxytrityl-2'-deoxyadenosine

Conditions

Conditions	Yield
With chloro-trimethyl-silane In pyridine at 20℃; for 16h;	99%
Stage #1: 2'-deoxy-D-adenosine With pyridine; chloro-trimethyl-silane at 20℃; for 2h; Stage #2: 4,4'-dimethoxytrityl chloride With pyridine at 20℃; for 16h;	99%
With chloro-trimethyl-silane Yield given. Multistep reaction;
With chloro-trimethyl-silane; ammonia 1.) pyridine, 15 min, 2.) pyridine, 18 h, room t., 3.) dioxane, water, 2 days; Yield given. Multistep reaction;

: 18162-48-6
tert-butyldimethylsilyl chloride

: 958-09-8
2'-deoxy-D-adenosine

: 51549-32-7
3',5'-bis-O-[(tert-butyl)dimethylsilyl]-2'-deoxyadenosine

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃;	99%
With 1H-imidazole In N,N-dimethyl-formamide for 15h;	98%
With 1H-imidazole In N,N-dimethyl-formamide at 35℃; for 16h;	96%

: 958-09-8
2'-deoxy-D-adenosine

: 97204-91-6
3',5'-O-(Di-tert-butylsilanediyl)deoxyadenosine

Conditions

Conditions	Yield
	99%

: 401-81-0
m-trifluoromethylphenyl iodide

: 958-09-8
2'-deoxy-D-adenosine

: 1182278-93-8
8-(m-trifluoromethylphenyl)-2'-deoxyadenosine

Conditions

Conditions	Yield
With piperidine; copper(l) iodide; palladium diacetate; caesium carbonate In N,N-dimethyl-formamide at 80℃; for 15h; Inert atmosphere;	99%

: 64-69-7
Iodoacetic acid

: 958-09-8
2'-deoxy-D-adenosine

: C12H16N5O5(1+)

Conditions

Conditions	Yield
In aq. buffer at 60℃; for 8h; pH=7.0;	99%
With sodium hydroxide In aq. phosphate buffer at 50℃; for 8h; pH=7;	74.1%

: 69304-37-6
1,3-Dichloro-1,1,3,3-tetraisopropyldisiloxane

: 958-09-8
2'-deoxy-D-adenosine

: 84828-84-2
2'-Deoxy-3',5'-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)adenosine

Conditions

Conditions	Yield
With pyridine at 20℃; for 12h;	98%
With 1H-imidazole; dmap In N,N-dimethyl-formamide at 20℃;	98%
With pyridine Ambient temperature;	96%

: 93-97-0
benzoic acid anhydride

: 958-09-8
2'-deoxy-D-adenosine

: 64723-02-0
N-benzoyl-3',5'-di-O-benzoyl-2'-deoxyadenosine

Conditions

Conditions	Yield
With dmap; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 0.0266667h; microwave irradiation;	98%
With dmap

: 67373-56-2
chlorodimethyl(1,1,2-trimethylpropyl)silane

: 958-09-8
2'-deoxy-D-adenosine

: 187674-16-4
9-{(2R,4S,5R)-4-[Dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-5-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxymethyl]-tetrahydro-furan-2-yl}-9H-purin-6-ylamine

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide	98%

: 637-87-6
1-Chloro-4-iodobenzene

: 958-09-8
2'-deoxy-D-adenosine

: 1252588-71-8
8-(4-chlorophenyl)-2'-deoxyadenosine

Conditions

Conditions	Yield
With piperidine; copper(l) iodide; palladium diacetate; caesium carbonate In N,N-dimethyl-formamide at 80℃; for 15h; Sealed vessel;	97%

: 14470-28-1
mono-4-methoxytrityl chloride

: 958-09-8
2'-deoxy-D-adenosine

: 129789-01-1
6-N-(4-Monomethoxytriphenylmethyl)-2'-deoxyadenosine

Conditions

Conditions	Yield
Stage #1: mono-4-methoxytrityl chloride; 2'-deoxy-D-adenosine With pyridine; chloro-trimethyl-silane at 0 - 20℃; Stage #2: With ammonium hydroxide	96%

: 958-09-8
2'-deoxy-D-adenosine

: 890-38-0
deoxyinosine

Conditions

Conditions	Yield
With adenosine deaminase for 1h; Ambient temperature;	95%
With adenine deaminase from E. coli; water In aq. phosphate buffer at 25℃; pH=7.0; Catalytic behavior; Reagent/catalyst; Enzymatic reaction;

: 98-88-4
benzoyl chloride

: 958-09-8
2'-deoxy-D-adenosine

: 105791-57-9
N6,N6-dibenzoyl-3′,5′-O-dibenzoyl-2′-deoxyadenosine

Conditions

Conditions	Yield
In pyridine at 65℃; for 4h;	95%

: 826-41-5
N-Methyl-2,2-diethoxypyrrolidine

: 958-09-8
2'-deoxy-D-adenosine

: 88010-85-9
6-N-(N-methylpyrrolidin-2-ylidene)-2'-deoxyadenosine

Conditions

Conditions	Yield
In pyridine at 25℃; for 16h;	94%

: 65-85-0
benzoic acid

: 958-09-8
2'-deoxy-D-adenosine

: 4546-72-9
N6-benzoyl-2'-deoxyadenosine

Conditions

Conditions	Yield
Stage #1: benzoic acid With pyridine; 4-nitro-phenol; dicyclohexyl-carbodiimide; TEA In 1,4-dioxane at 20℃; for 2h; Stage #2: 2'-deoxy-D-adenosine With pyridine; dicyclohexyl-carbodiimide In 1,4-dioxane at 0℃; for 2h;	94%

: 455-13-0
4-Iodobenzotrifluoride

: 958-09-8
2'-deoxy-D-adenosine

: 1182278-92-7
8-(p-trifluoromethylphenyl)-2'-deoxyadenosine

Conditions

Conditions	Yield
With piperidine; copper(l) iodide; palladium diacetate; caesium carbonate In N,N-dimethyl-formamide at 80℃; for 15h; Inert atmosphere;	94%

: 613-90-1
benzoyl cyanide

: 958-09-8
2'-deoxy-D-adenosine

: 20838-22-6
3',5'-di-O-benzoyl-2'-deoxyadenosine

Conditions

Conditions	Yield
With pyridine; dmap at 40℃; for 6h;	93%
With dmap; 1-ethylene glycol monomethyl ether-3-methylimidazolium methanesulfonate at 25 - 35℃;	91%
With pyridine; dmap at 40℃; for 6h;	93.0 % Chromat.

: 107-20-0
2-chloroethanal

: 958-09-8
2'-deoxy-D-adenosine

: 68498-25-9
3-(2-Deoxy-β-D-erythro-pentafuranosyl)-3H-imidazo[2,1-i]purine

Conditions

Conditions	Yield
In water at 30℃; for 12h;	92%
With sodium hydrogencarbonate In tetrahydrofuran at 20℃; for 96h; pH=4 - 5;	83%
Stage #1: 2'-deoxy-D-adenosine In water at 20℃; for 0.25h; pH=Ca. 7; Stage #2: 2-chloroethanal With sodium hydroxide In water for 28h; pH=Ca. 4.2 - 4.5;	77%

: 108-05-4
vinyl acetate

: 958-09-8
2'-deoxy-D-adenosine

: 72560-67-9
5'-O-acetyl-2'-deoxyadenosine

Conditions

Conditions	Yield
With molecular sieve In tetrahydrofuran at 60℃; for 0.5h; Acetylation;	92%
With Candida antarctica lipase acrylic resin In tetrahydrofuran at 60℃; for 1.5h;	89%

: 35418-55-4
dipalmitoylphosphatidylcholine

: 958-09-8
2'-deoxy-D-adenosine

A: 62-49-7
choline

B: 107110-41-8, 119067-13-9
Hexadecanoic acid (S)-2-{[(2R,3S,5R)-5-(6-amino-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryloxy}-1-hexadecanoyloxymethyl-ethyl ester

Conditions

Conditions	Yield
phospholipase D-P In chloroform at 45℃; for 6h; 100 mM acetate buffer (pH 4.0);	A n/a B 91%

...Expand

2'-Deoxyadenosine Chemical Properties

Deoxyadenosine(958-09-8) is a deoxyribonucleoside. It is a derivative of the nucleoside adenosine, differing from the latter by the replacement of a hydroxyl group (-OH) by hydrogen (-H) at the 2' position of its ribose sugar moiety.
IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
The Molecular formula of Deoxyadenosine(958-09-8): C₁₀H₁₃N₅O₃
The Molar mass of Deoxyadenosine(958-09-8): 251.24192
EINECS: 213-488-7
mp: 187-189 °C
Density: 1.91 g/cm³
Flash Point: 333.1 °C
Boiling Point: 627.2 °C at 760 mmHg
storage temp.: 2-8°C
Index of Refraction: 1.863
Categories: Pyridines, Pyrimidines, Purines and Pteredines;Nucleotides and Nucleic Acids
Synonyms: 2'-deoxy-adenosin;9-(2-Deoxy-beta-D-erythro-pentofuranosyl)adenine;9H-Purin-6-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-;9H-Purin-6-amine, 9-(2-deoxy-beta-D-ribofuranosyl)-;Adenine deoxy nucleoside;Adenine deoxyribonucleoside;adeninedeoxyribonucleoside;adeninedeoxyribose;
The Structure of Deoxyadenosine(958-09-8):

2'-Deoxyadenosine Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

2'-Deoxyadenosine Specification

The Deoxyadenosine, with the CAS registry number 958-09-8 and EINECS registry number 213-488-7, has the IUPAC name of (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol. And the molecular formula of this chemical is C₁₀H₁₃N₅O₃. It is a derivative of the nucleoside adenosine, and belongs to the product categories: Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleic Acids. What's more, it should be stored at 2-8°C.

The physical properties of Deoxyadenosine are as following: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.87; (8)ACD/KOC (pH 7.4): 12.03; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.53 Å²; (13)Index of Refraction: 1.863; (14)Molar Refractivity: 59.1 cm³; (15)Molar Volume: 130.8 cm³; (16)Polarizability: 23.43×10^-24cm³; (17)Surface Tension: 93.6 dyne/cm; (18)Density: 1.91 g/cm³; (19)Flash Point: 333.1 °C; (20)Enthalpy of Vaporization: 97.57 kJ/mol; (21)Boiling Point: 627.2 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(ncnc1n(c2)[C@@H]3O[C@@H]([C@@H](O)C3)CO)N
(2)InChI: InChI=1/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
(3)InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMBK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	> 800mg/kg (800mg/kg)		Advances in Teratology. Vol. 3, Pg. 181, 1968.

Product Name

2'-Deoxyadenosine

Synthetic route

2'-Deoxyadenosine Chemical Properties

2'-Deoxyadenosine Consensus Reports

2'-Deoxyadenosine Specification

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