2-Chloroadenosine supplier

Name
6-Amino-2-chloropurine riboside
EINECS 205-678-3
CAS No. 146-77-0
Article Data37
CAS DataBase
Density 2.19 g/cm³
Solubility 10 mg/mL in water
Melting Point 162 °C
Formula C₁₀H₁₂ClN₅O₄
Boiling Point 591.8 °C at 760 mmHg
Molecular Weight 301.689
Flash Point 311.7 °C
Transport Information
Appearance white to off-white crystalline solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cl-Ado;6-Amino-2-chloropurine riboside;(2R,3R,4R,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;4-26-00-03725 (Beilstein Handbook Reference);2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;Antibiotic AT 265B;Adenosine,2-chloro-;2-Chloroadenosinehemihydrate;
PSA 139.54000
LogP -0.74540

Synthetic route

: 79999-39-6, 24638-99-1
2',3',5'-tri-O-acetyl-2-chloroadenosine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With methanol; sodium methylate for 1h; Reflux;	96%

: 1839-18-5
2-chloroadenine

: 58-96-8
uridine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With hydrogenchloride; potassium dihydrogenphosphate; potassium hydroxide In water; dimethyl sulfoxide at 58 - 61℃; for 4h; pH=7.1-7.2; Enzymatic reaction;	85%
With potassium phosphate; Geobacillus thermoglucosidasius purine nucleoside phosphorylase; Thermus thermophilus pyrimidine nucleoside phosphorylase In water at 70℃; for 1h; pH=7; Enzymatic reaction;
With dipotassium hydrogenphosphate; purine nucleoside phosphorylase; pyrimidine nucleoside phosphorylase; glycine In aq. buffer at 60℃; pH=9; Equilibrium constant; Enzymatic reaction;

: 3056-18-6
(2R,3R,4R,5R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(2,6-dichloro-9H-purin-9-yl)tetrahydro-3-furanyl acetate

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With ethanol; ammonia at 20℃;	75%
With ammonia In ethanol at 100℃; for 24h;	73%
With ammonium hydroxide In tetrahydrofuran for 72h; Ambient temperature; Yield given;

: 195727-26-5
2-chloro-2′,3′,5′-tri-O-(t-butyldimethylsilyl)adenosine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With potassium fluoride In methanol at 80℃; for 24h;	74%

: 1839-18-5
2-chloroadenine

: 118-00-3
G

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With hydrogenchloride; potassium dihydrogenphosphate; potassium hydroxide In water; dimethyl sulfoxide at 58 - 61℃; for 4h; pH=7.1-7.2; Enzymatic reaction;	70%
With Trypanosoma brucei purine nucleoside 2'-deoxyribosyltransferase, Y5F mutant In aq. phosphate buffer at 50℃; for 0.5h; pH=6.5; Enzymatic reaction;

: 1055168-98-3
6-amino-2-chloro-9-(2',3',5'-tri-O-benzoyl-β-D-ribofuranosyl)-9H-purine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 7h;	67%

: 15465-92-6
2-chloro-6-methoxy-purine riboside

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With methanol; ammonia

: 75802-60-7
2,8-dichloro-adenosine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With sodium hydroxide; Pd-BaSO4 Hydrogenation;

(1R)-tri-O-benzoyl-1-<2,6-dichloro-purin-9-yl>-1,4-anhydro-ribitol: (1R)-tri-O-benzoyl-1-<2,6-dichloro-purin-9-yl>-1,4-anhydro-ribitol

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With methanol; ammonia

: 105499-44-3
2,3,5-tri-O-acetyl-α-D-ribofuranosyl chloride

6-amino-2chloro-purin-9-ylmercury(1+) chloride: 6-amino-2chloro-purin-9-ylmercury(1+) chloride

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With xylene und Behandeln des Reaktionsprodukts mit methanol.NH3;

: 15373-23-6
(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(2,6-dichloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl dibenzoate

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With ammonia In methanol at 20℃;
With ammonia In methanol at 100℃; for 24h; Autoclave;	14 g
With ammonia In methanol at 100℃; for 24h; Autoclave;	14 g

: 1-[9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-2-chloropurin-6-yl]-3-benzyl-2-propylimidazolium iodide

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With ammonia In methanol at 60℃; for 11h;

: 891497-89-5
9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-2-chloro-6-(2-propylimidazol-1-yl)purine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaI / acetonitrile / 1.5 h / 60 °C 2: NH3 / methanol / 11 h / 60 °C View Scheme

: 6974-32-9
1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose

thioether-bound (4-hydroxypyrimidine-2-yl)-Merrifield resin: thioether-bound (4-hydroxypyrimidine-2-yl)-Merrifield resin

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SnCl4 / acetonitrile / 20 °C 2: NH3 / methanol / 20 °C View Scheme

: 5451-40-1
2,6 dichloropurine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SnCl4 / acetonitrile / 20 °C 2: NH3 / methanol / 20 °C View Scheme
Multi-step reaction with 3 steps 1: tin(IV) chloride / 0.25 h / 90 - 120 °C 2: ammonia / methanol / 24 h / 100 °C / Autoclave 3: 24 h / 20 °C View Scheme

: 16321-99-6
2-amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Ph3CCl, K2CO3, isoamyl nitrite / CH2Cl2 / 0.5 h / Heating 2: conc. NH4OH / tetrahydrofuran / 72 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: benzyltriethylammonium nitrite; acetyl chloride / dichloromethane / 1 h / 0 °C / Inert atmosphere; Cooling with ice 2: ammonia / ethanol / 72 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: benzyltriethylammonium nitrite; acetyl chloride / dichloromethane / Inert atmosphere; Cooling with ice 2: ammonia; ethanol / 20 °C View Scheme

: 118-00-3
G

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: pyridine / dimethylformamide / 4.5 h / 75 °C 2: 70.85 percent / Et4NCl, Me2NPh, POCl3 / acetonitrile / 0.17 h / Heating 3: Ph3CCl, K2CO3, isoamyl nitrite / CH2Cl2 / 0.5 h / Heating 4: conc. NH4OH / tetrahydrofuran / 72 h / Ambient temperature View Scheme
Multi-step reaction with 4 steps 1: dmap; N,N-dimethyl-ethanamine / acetonitrile / 1 h / 20 °C 2: tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate / 100 °C 3: benzyltriethylammonium nitrite; acetyl chloride / dichloromethane / 1 h / 0 °C / Inert atmosphere; Cooling with ice 4: ammonia / ethanol / 72 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1: N,N-dimethyl-ethanamine; dmap / acetonitrile 2: tetraethylammonium chloride; trichlorophosphate; N,N-dimethyl-aniline / Inert atmosphere 3: benzyltriethylammonium nitrite; acetyl chloride / dichloromethane / Inert atmosphere; Cooling with ice 4: ammonia; ethanol / 20 °C View Scheme

: 6979-94-8
2',3',5'-tri-O-acetyl-guanosine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 70.85 percent / Et4NCl, Me2NPh, POCl3 / acetonitrile / 0.17 h / Heating 2: Ph3CCl, K2CO3, isoamyl nitrite / CH2Cl2 / 0.5 h / Heating 3: conc. NH4OH / tetrahydrofuran / 72 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1: tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate / 100 °C 2: benzyltriethylammonium nitrite; acetyl chloride / dichloromethane / 1 h / 0 °C / Inert atmosphere; Cooling with ice 3: ammonia / ethanol / 72 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: tetraethylammonium chloride; trichlorophosphate; N,N-dimethyl-aniline / Inert atmosphere 2: benzyltriethylammonium nitrite; acetyl chloride / dichloromethane / Inert atmosphere; Cooling with ice 3: ammonia; ethanol / 20 °C View Scheme

: 1336-21-6
ammonium hydroxide

: 2,6-dichloro-9-(2,3,5-O-triacetyl-β-D-ribofuranosyl)-9H-purine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
In tetrahydrofuran

: 50-69-1
D-ribose

: 1839-18-5
2-chloroadenine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; recombinant E.coli phosphopentomutase; recombinant E.coli purine nucleoside phosphorylase; recombinant E.coli ribokinase; potassium chloride; ATP; manganese(ll) chloride In aq. buffer at 50℃; for 0.5h; pH=7.5; Enzymatic reaction;	90 %Chromat.

: 1277176-33-6
O6-(benzotriazol-1-yl)-2-chloro-9-[2,3,5-tri-O-(t-butyldimethylsilyl)-β-D-ribofuranosyl]purine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ammonium hydroxide / 1.5 h / 20 °C 2: potassium fluoride / methanol / 24 h / 80 °C View Scheme

: 1182847-52-4
O6-(benzotriazol-1H-yl)-2',3',5'-tri-O-(tert-butyldimethylsilyl)guanosine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tert.-butylnitrite; chloro-trimethyl-silane / dichloromethane / 1 h / 0 °C 2: ammonium hydroxide / 1.5 h / 20 °C 3: potassium fluoride / methanol / 24 h / 80 °C View Scheme

: 1839-18-5
2-chloroadenine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin(IV) chloride / nitromethane / 3 h / 20 °C / Cooling with ice 2: sodium methylate; methanol / 1 h / Reflux View Scheme

: 65024-85-3
1-β-D-ribofuranosyl-1H-benzotriazole

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin(IV) chloride / nitromethane / 3 h / 20 °C / Cooling with ice 2: sodium methylate; methanol / 1 h / Reflux View Scheme

: 13276-52-3
2,6-dichloropurine riboside

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With ammonia In methanol at 80℃; for 7h; High pressure;
at 20℃; for 24h;	4.5 g

: 13035-61-5
1,2,3,5-tetraacetylribose

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tin(IV) chloride / 0.25 h / 90 - 120 °C 2: ammonia / methanol / 24 h / 100 °C / Autoclave 3: 24 h / 20 °C View Scheme

: C5H9O8P(2-)*2K(1+)

: 1839-18-5
2-chloroadenine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
With E-purine nucleoside phosphorylase-0002 In aq. buffer at 40℃; for 0.3h; pH=9; Equilibrium constant; Reagent/catalyst; Temperature; pH-value; Enzymatic reaction;

: 316-46-1
5-fluorouridine

: 146-77-0
2-Chloroadenosine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: E-pyrimidine nucleoside phosphorylase-0002; potassium dihydrogenphosphate / aq. buffer / 0.2 h / 40 °C / pH 9 / Enzymatic reaction 2: E-purine nucleoside phosphorylase-0002 / aq. buffer / 0.3 h / 40 °C / pH 9 / Enzymatic reaction View Scheme

: 146-77-0
2-Chloroadenosine

: 77-76-9
2,2-dimethoxy-propane

: 24639-06-3
((3aR,4R,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20℃; Cycloaddition;	100%
With perchloric acid In water at 20℃; for 8h; Reagent/catalyst; Inert atmosphere;	88%
With toluene-4-sulfonic acid In acetone at 45℃;	85%

: 107149-56-4
chlorodiethylisopropylsilane

: 146-77-0
2-Chloroadenosine

: 849115-69-1
2-chloro-2',3',5'-tri-O-(isopropyldiethylsilyl)adenosine

Conditions

Conditions	Yield
With 1H-imidazole In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 20℃; for 18h;	100%

: 146-77-0
2-Chloroadenosine

: 71-36-3
butan-1-ol

: 43157-50-2
2-Thioadenosine

Conditions

Conditions	Yield
With hydrogen sulfide; acetic acid In N-methyl-acetamide; water	100%

: 3083-77-0
araU

: 146-77-0
2-Chloroadenosine

: 10147-12-3
2-chloro-9-(β-D-arabinofuranosyl)adenine

Conditions

Conditions	Yield
With uridine phosphorylase; disodium hydrogen arsenate heptahydrate; Escherichia coli purine nucleoside phosphorylase for 48h; Enzymatic reaction;	99%

: 146-77-0
2-Chloroadenosine

: 15763-11-8
2-hydrazinoadenosine

Conditions

Conditions	Yield
With hydrazine hydrate at 20℃; for 4h;	97%
With hydrazine hydrate In water at 45 - 50℃; Temperature;	87%
With hydrazine at 40 - 55℃; for 2h; Product distribution / selectivity;	81.4%

: 146-77-0
2-Chloroadenosine

: 149-73-5
trimethyl orthoformate

: 478702-41-9
2-chloro-2′,3′-O-methoxymethylideneadenosine

Conditions

Conditions	Yield
Stage #1: 2-Chloroadenosine; trimethyl orthoformate With toluene-4-sulfonic acid at 20℃; Stage #2: at 20℃; for 3h;	96%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 20℃; for 24h;	81%
With toluene-4-sulfonic acid at 20℃;

: 108-24-7
acetic anhydride

: 146-77-0
2-Chloroadenosine

: 79999-39-6, 24638-99-1
2',3',5'-tri-O-acetyl-2-chloroadenosine

Conditions

Conditions	Yield
With dmap; triethylamine In acetonitrile at 50℃;	94%

: 57260-73-8
N-BOC-1,2-diaminoethane

: 146-77-0
2-Chloroadenosine

: 847647-31-8
tert-butyl (2-((6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)amino)ethyl)carbamate

Conditions

Conditions	Yield
at 150℃; for 2h; Inert atmosphere; Neat (no solvent);	91.4%

: 146-77-0
2-Chloroadenosine

: 67-64-1
acetone

: 24639-06-3
((3aR,4R,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20℃; Inert atmosphere;	90%
With toluene-4-sulfonic acid at 20℃; for 22h; Cooling with ice; Inert atmosphere;	83%
With toluene-4-sulfonic acid at 20℃; for 22h; Cooling with ice;	83%

: 146-77-0
2-Chloroadenosine

: 68-11-1
mercaptoacetic acid

: 58097-84-0
2-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-ylthio)acetic acid

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	90%

: 146-77-0
2-Chloroadenosine

: 104-15-4
toluene-4-sulfonic acid

: 24639-06-3
((3aR,4R,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

Conditions

Conditions	Yield
In acetone at 20℃; for 4h; Inert atmosphere;	90%

: 23695-66-1
2-adamantanethiol

: 146-77-0
2-Chloroadenosine

: 2-(β-adamantyl)thioadenosine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	85%

: 69412-76-6
3,3,3-trifluoro-propane-1-thiol

: 146-77-0
2-Chloroadenosine

: 163706-51-2
2-[(3,3,3-trifluoropropyl)thio]adenosine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 5h; Reagent/catalyst; Solvent; Reflux;	85%

: 146-77-0
2-Chloroadenosine

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: C19H29N7O6

Conditions

Conditions	Yield
With triethylamine In ethanol; water	85%

: 2637-34-5
2-Mercaptopyridine

: 146-77-0
2-Chloroadenosine

: 2-(β-pyridyl)thioadenosine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	80%

: 13472-00-9
p-Aminophenethylamine

: 146-77-0
2-Chloroadenosine

: 161536-30-7
2-[2-(4-aminophenyl)ethylamino]adenosine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine at 140℃; for 4h; Substitution;	79%

: 146-77-0
2-Chloroadenosine

: 616-38-6
carbonic acid dimethyl ester

: 4105-39-9
2-(methylthio)adenosine

Conditions

Conditions	Yield
With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate In dimethyl sulfoxide at 120℃; Inert atmosphere;	77%

: 146-77-0
2-Chloroadenosine

: (2R,3R,4S,5S)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol, also called 5'-deoxy-5'-(chloro)-2-chloroadenosine

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; thionyl chloride at 20℃; Inert atmosphere;	76%

: 146-77-0
2-Chloroadenosine

: 74-89-5
methylamine

: 13364-95-9
2-(methylamino)adenosine

Conditions

Conditions	Yield
In ethanol; water at 100℃; for 132h; Sealed tube;	75%

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

: 146-77-0
2-Chloroadenosine

: 111556-90-2
(6aR,8R,9R,9aS)-8-(6-amino-2-chloro-9H-purin-9-yl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol

Conditions

Conditions	Yield
With 1H-imidazole In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 20℃; for 24h;	72%
With pyridine for 1h; Ambient temperature;	69%
In pyridine at 20℃;

: 146-77-0
2-Chloroadenosine

: 60-24-2
2-hydroxyethanethiol

: 56720-63-9
S-(2-hydroxy-ethyl)-2-thio-isoguanosine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	72%

: 2706-56-1
2-(aminoethyl)pyridine

: 146-77-0
2-Chloroadenosine

: 124498-70-0
2-[2-(pyridin-2-yl)ethylamino]-adenosine

Conditions

Conditions	Yield
at 140℃; for 4h;	71%

: 4442-85-7
2-cyclohexylethylamine

: 146-77-0
2-Chloroadenosine

: 124498-52-8
2-[(2-Cyclohexylethyl)amino]adenosine

Conditions

Conditions	Yield
at 140℃; for 4h;	71%

: 3634-56-8
isopropyldimethylsilyl chloride

: 146-77-0
2-Chloroadenosine

: 849115-65-7
2-chloro-2',3',5'-tri-O-(isopropyldimethylsilyl)adenosine

Conditions

Conditions	Yield
With 1H-imidazole In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 20℃; for 18h;	70%

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

: 146-77-0
2-Chloroadenosine

: 119530-57-3
2-Chloro-5'-O-(4,4'-dimethoxytrityl)adenosine

Conditions

Conditions	Yield
With pyridine for 24h; Ambient temperature;	69%

2-Chloroadenosine Specification

The 2-Chloroadenosine, with the CAS registry number 146-77-0 and EINECS registry number 205-678-3, has the systematic name of 1,2,3,5-tetra-O-acetyl-β-L-ribofuranose. It is a kind of white to off-white crystalline solid, and belongs to the following product categories: Miscellaneous Biochemicals; 13C & 2H Sugars; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Carbohydrates & Derivatives; Heterocycles; Nucleotides; Adenosine receptor; Adenosine. And the molecular formula of the chemical is C₁₀H₁₂ClN₅O₄. Besides, it is always used as selective A1-adenosine receptor agonist which can induce apoptosis.

The physical properties of 2-Chloroadenosine are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.4; (8)ACD/KOC (pH 7.4): 13.4; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.76 Å²; (13)Index of Refraction: 1.912; (14)Molar Refractivity: 64.55 cm³; (15)Molar Volume: 137.4 cm³; (16)Polarizability: 25.59×10^-24cm³; (17)Surface Tension: 106.5 dyne/cm; (18)Density: 2.19 g/cm³; (19)Flash Point: 311.7 °C; (20)Enthalpy of Vaporization: 92.84 kJ/mol; (21)Boiling Point: 591.8 °C at 760 mmHg; (22)Vapour Pressure: 7.47E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(c2ncn(c2n1)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N
(2)InChI: InChI=1/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
(3)InChIKey: BIXYYZIIJIXVFW-UUOKFMHZBQ

Product Name

6-Amino-2-chloropurine riboside

Synthetic route

2-Chloroadenosine Specification

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