Conditions | Yield |
---|---|
With hydrogen bromide In dichloromethane Ambient temperature; | 100% |
With hydrogen bromide; acetic acid at 20℃; for 4h; | 100% |
With hydrogen bromide at 20℃; for 1.16667h; | 100% |
D-glucose pentaacetate
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid at 20℃; Product distribution / selectivity; | 100% |
With hydrogen bromide; acetic acid at 20℃; for 2h; | 100% |
With hydrogen bromide; acetic acid In dichloromethane at 20℃; for 3h; | 100% |
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid | 100% |
Stage #1: α-D-glucopyranose peracetylate With hydrogen bromide; acetic acid Stage #2: at 0 - 20℃; for 2h; | 98% |
With acetic anhydride; phosphorus tribromide In water at 0℃; for 1h; | 95% |
alpha-D-glucopyranose
Acetyl bromide
acetic anhydride
acetic acid
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With perchloric acid In methanol at 20℃; for 2h; | 99% |
p-methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With Acetyl bromide; zinc dibromide In dichloromethane at 22℃; for 24h; | 97% |
2,3,4,5-tetra-O-acetyl-D-glucopyranose
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid In dichloromethane at 0℃; for 8h; | 96% |
With pyridine; (PhO)3P*Br2 In dichloromethane for 0.0833333h; | 89% |
With hydrogen bromide; acetic anhydride In dichloromethane at 20℃; for 4h; | 85% |
D-Glucose
acetic anhydride
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
Stage #1: D-Glucose With Acetyl bromide In methanol Stage #2: acetic anhydride With acetic acid | 95% |
Stage #1: D-Glucose; acetic anhydride With perchloric acid; acetic acid at 20℃; for 0.5h; Stage #2: With Acetyl bromide In methanol for 2h; | 90% |
Stage #1: D-Glucose; acetic anhydride With sodium acetate at 100℃; for 5h; Stage #2: With hydrogen bromide; acetic acid In dichloromethane at 20℃; for 6h; | 90% |
alpha-D-glucopyranose
acetic anhydride
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
Stage #1: alpha-D-glucopyranose; acetic anhydride With perchloric acid at 30 - 40℃; for 1h; Stage #2: With phosphorus; bromine at 20℃; Cooling with ice; Stage #3: With water at 20℃; for 3.16667h; | 90% |
With hydrogen bromide; acetic acid at 20℃; for 11h; | 89% |
With hydrogen bromide; acetic acid at 20℃; for 11h; | 85.88% |
Penta-O-acetyl-aldehydo-D-glucose
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With hydrogen bromide In dichloromethane; acetic acid at 20℃; for 6h; | 86% |
With hydrogen bromide In acetic acid |
4-methoxyphenyl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside
A
2,3,6,2',3',4',6'-hepta-O-acetyl-lactosyl bromide
B
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
C
1-bromo-1-deoxy-2,3,4,6-tetra-O-acetyl-a-D-galactopyranoside
Conditions | Yield |
---|---|
With Acetyl bromide; zinc dibromide In dichloromethane at 22℃; Yields of byproduct given; | A 82% B n/a C n/a |
ethyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl disulfide
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With 4 A molecular sieve; iodine(I) bromide In dichloromethane at 20℃; | 82% |
With iodine(I) bromide In dichloromethane at 20℃; for 0.5h; | 82% |
1-deoxy-1-[(R/S)-(phenyl)sulfinyl]-2,3,4,6-tetra-O-acetyl-β-D-glucopyranose
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With N-Bromosuccinimide In tetrachloromethane Irradiation; | 78% |
With N-Bromosuccinimide In tetrachloromethane Product distribution; Irradiation; other glucopyranoside, other reagent, other solvent; |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With copper(ll) bromide In dichloromethane at 20℃; Molecular sieve; Inert atmosphere; | 78% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With iodine(I) bromide In dichloromethane; toluene at 20℃; for 1h; Molecular sieve; Inert atmosphere; | 78% |
2,3,4,5-tetra-O-acetyl-D-glucopyranose
1-bromo-N,N,2-trimethyl-1-propen-1-amine
A
N,N,2-trimethylpropionamide
B
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
In chloroform for 6h; Product distribution; Ambient temperature; | A n/a B 77% |
Acetic acid (2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-methoxy-tetrahydro-pyran-4-yl ester
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With acyl bromide; zinc dibromide In dichloromethane for 12h; Heating; | 75% |
With trimethylsilyl bromide; zinc dibromide In dichloromethane for 24h; Ambient temperature; | 47% |
methyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With acyl bromide; zinc dibromide In dichloromethane for 12h; Heating; | 71% |
1-deoxy-1-[(R/S)-(phenyl)sulfinyl]-2,3,4,6-tetra-O-acetyl-β-D-glucopyranose
A
2,3,4,5-tetra-O-acetyl-D-glucopyranose
B
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With Bromotrichloromethane In tetrachloromethane Irradiation; | A 30% B 65% |
D-Glucose
Acetyl bromide
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
Stage #1: D-Glucose With perchloric acid; acetic anhydride at 30 - 40℃; for 0.5h; Stage #2: Acetyl bromide With water at 20℃; for 2h; | 57.5% |
With aluminum oxide In acetonitrile at 20℃; for 4h; | 20% |
In acetic acid for 2h; Ambient temperature; | |
With sulfuric acid |
n-hexyl caproate
β-D-glucose pentaacetate
A
hexanoic acid
B
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With bromine at 20℃; Irradiation; Green chemistry; | A n/a B 57% |
n-decyl acetate
β-D-glucose pentaacetate
A
1-bromo dodecane
B
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With bromine at 20℃; Irradiation; Green chemistry; | A n/a B 57% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid at 20℃; for 2h; | 53% |
β-D-glucose pentaacetate
A
1,3,4,6-tetra-O-acetyl 2-bromo-2-deoxy-α-D-glucopyranose
B
2,3,4,5-tetra-O-acetyl-D-glucopyranose
C
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With bromine In 2,2,4-trimethylpentane; dichloromethane at 20℃; for 7h; Irradiation; Green chemistry; | A 7% B 15% C 22% |
2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-1-C-sulfonamide
C
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With bromine; potassium carbonate In α,α,α-trifluorotoluene for 4h; Reflux; Heat lamp; | A 12% B 12% C 19% |
β-D-glucose pentaacetate
A
1,2,3,4,6-Penta-O-acetyl-5-bromo-β-D-glucopyranose
B
2,3,4,6-tetra-O-acetyl-1-bromo-D-glucopyranosyl bromide
C
2,3,4,6-tetra-O-acetyl-5-bromo-β-D-glucopyranosyl bromide
D
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With bromine In tetrachloromethane for 3h; Heating; Irradiation; | A n/a B n/a C 13% D 0.06 g |
With bromine In tetrachloromethane for 3h; Heating; Irradiation; Yield given; | A n/a B n/a C 13% D 0.06 g |
With bromine In tetrachloromethane for 3h; Heating; Irradiation; Yields of byproduct given; | A n/a B n/a C 13% D 0.06 g |
β-D-glucose pentaacetate
A
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
B
α-D-glucopyranose peracetylate
Conditions | Yield |
---|---|
With bromine In ethyl acetate at 20℃; for 19h; Irradiation; Darkness; Green chemistry; | A 8% B n/a |
Conditions | Yield |
---|---|
With Acetyl bromide; acetic acid | |
Multi-step reaction with 2 steps 1.1: pyridine / 1 h / 0 - 20 °C / Inert atmosphere 1.2: 6 h / 20 °C / Inert atmosphere 2.1: hydrogen bromide; acetic acid / dichloromethane / 1 h / Cooling with ice View Scheme | |
Multi-step reaction with 2 steps 1: pyridine / 6 h / 0 °C 2: acetic acid; hydrogen bromide / dichloromethane / 2 h View Scheme |
D-glucose
acetic anhydride
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With perchloric acid anschl. mit Phosphor, Brom und H2O; | |
With pyridine; hydrogen bromide; acetic acid Yield given; Multistep reaction; | |
Stage #1: D-glucose; acetic anhydride With iodine at 20℃; for 1h; Stage #2: With hydrogen bromide; acetic acid | |
Stage #1: D-glucose; acetic anhydride With perchloric acid In water at 40℃; for 1h; Stage #2: With phosphorus; bromine In water at 0 - 20℃; for 4h; |
sodium chloride * 2 d-glucose * H2O
acetic anhydride
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With sulfuric acid anschl. Behandeln des von der gebildeten Essigsaeure befreiten Rktprod. mit HBr; |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
1-azido-1-deoxy-β-D-glucopyranoside tetraacetate
Conditions | Yield |
---|---|
With tetramethylguanidinum azide In nitromethane at 25℃; for 2.5h; | 100% |
With sodium azide In N,N-dimethyl-formamide for 48h; Inert atmosphere; | 100% |
With N,N,N',N'-tetramethylguanidinium azide In dichloromethane for 2h; Ambient temperature; other glycosyl halides; | 99% |
lead(II) thiocyanate
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate
Conditions | Yield |
---|---|
In benzene for 6h; Heating; | 100% |
In 5,5-dimethyl-1,3-cyclohexadiene at 130 - 140℃; for 0.416667h; Microwave irradiation; | 89.66% |
In toluene for 4h; Reflux; | 89% |
thiourea
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiouronium bromide
Conditions | Yield |
---|---|
In acetone at 60℃; Inert atmosphere; Reflux; | 100% |
In acetone for 0.5h; Heating; | 95% |
In acetone for 0.05h; microwave irradiation; | 90% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
3,4,6-tri-O-acetyl-1,2-O-vinylidene-α-D-glucopyranose
Conditions | Yield |
---|---|
With silver perchlorate; N-ethyl-N,N-diisopropylamine In benzene at 20℃; for 1h; Molecular sieve; Inert atmosphere; Darkness; | 100% |
With N-ethyl-N,N-diisopropylamine; silver(l) oxide In benzene for 6h; Heating; |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecanoic acid (4-mercapto-phenyl)-methyl-amide
Conditions | Yield |
---|---|
With sodium carbonate In water; ethyl acetate at 20℃; for 2h; | 100% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; sodium hydroxide; phase transfer catalyst In dichloromethane at 20℃; for 0.5h; | 100% |
2-Nitrobenzyl alcohol
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2-nitrobenzyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside
Conditions | Yield |
---|---|
With iodine; silver carbonate In dichloromethane at 20℃; for 16h; Molecular sieve; Inert atmosphere; | 100% |
With iodine; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile for 4h; Molecular sieve; Inert atmosphere; | 91% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In acetonitrile at 80℃; | 100% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2,3,4,5-tetra-O-acetyl-D-glucopyranose
Conditions | Yield |
---|---|
With water; silver carbonate In acetone for 0.5h; | 99% |
With N-methylacridinium iodide; sodium cyanoborohydride In N,N-dimethyl-formamide for 1h; Reagent/catalyst; Solvent; UV-irradiation; | 55.8% |
With acetone; silver carbonate |
ursolic acid
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl 3β-hydroxyurs-12-en-28-oate
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In dichloromethane; water for 8h; Heating; | 99% |
With Aliquat 336; potassium carbonate In dichloromethane; water for 48h; Ambient temperature; | 95% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 90% |
benzoic acid
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
O2,O3,O4,O6-Tetraacetyl-O1-benzoyl-β-D-glucopyranose
Conditions | Yield |
---|---|
With tetraethylammonium bromide; potassium carbonate In dichloromethane at 20℃; Reagent/catalyst; Molecular sieve; | 99% |
With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Molecular sieve; Inert atmosphere; | 84% |
With Amberlyst A-26 hydroxide form 1.) hexane, 2.) benzene, reflux, 12 h; | 65% |
Conditions | Yield |
---|---|
With tetraethylammonium bromide; potassium carbonate In dichloromethane at 20℃; Molecular sieve; | 99% |
With Aliquat 336; potassium carbonate In dichloromethane; water Ambient temperature; | 96% |
sodium N,N-diethyldithiocarbamate
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
In acetone for 1h; Reflux; | 99% |
In acetonitrile at 25℃; for 1h; | 63% |
2-thioxo-3H-1,3-benzothiazole
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosylmercapto)1,3-benzothiazole
Conditions | Yield |
---|---|
With potassium hydroxide In acetonitrile at 20℃; for 1h; | 99% |
4-(pyridin-2'-yl)thiazole-2(3H)-thione sodium salt
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
4-(pyridine-2-yl)-thiazole-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranoside
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 8h; Inert atmosphere; | 99% |
6-O-tert-butyldimethylsilanyl-1-O-methyl-α-D-mannopyranoside
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
methyl 6-O-tert-butyldimethylsilyl-3-O-(2′,3′,4′,6′-tetra-O-acetyl-β-D-glucopyranosyl)-α-D-mannopyranoside
Conditions | Yield |
---|---|
With diphenylborate ethanolamine ester; silver(l) oxide In acetonitrile at 23℃; for 16h; Kinetics; Mechanism; Concentration; Reagent/catalyst; Koenigs-Knorr synthesis; Inert atmosphere; regioselective reaction; | 99% |
With [2-(1-methyl-1H-imidazol-2-yl)phenyl]boronic acid; silver(l) oxide In acetonitrile at 30℃; for 24h; Reagent/catalyst; Koenigs-Knorr Glycosidation; Inert atmosphere; regioselective reaction; | 98% |
6-O-tert-butyldimethylsilanyl-1-O-methyl-α-D-galactopyranoside
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
methyl 6-O-tert-butyldimethylsilyl-3-O-(2’,3’,4’,6’-tetra-O-acetyl-β-D-glucopyranosyl)-α-D-galactopyranoside
Conditions | Yield |
---|---|
With [2-(1-methyl-1H-imidazol-2-yl)phenyl]boronic acid; silver(l) oxide In acetonitrile at 30℃; for 24h; Koenigs-Knorr Glycosidation; Inert atmosphere; regioselective reaction; | 99% |
With diphenylborate ethanolamine ester; silver(l) oxide In acetonitrile at 23℃; for 16h; Koenigs-Knorr synthesis; Inert atmosphere; regioselective reaction; | 74% |
With diphenylborate ethanolamine ester; silver(l) oxide In acetonitrile at 23℃; for 16h; Reagent/catalyst; regioselective reaction; | 74% |
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Conditions | Yield |
---|---|
Stage #1: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol With diphenyltin(IV) dichloride In acetonitrile at 20℃; for 0.166667h; Stage #2: 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide With 5,5'-dimethyl-2,2'-bipyridine; silver(l) oxide In acetonitrile at 20 - 35℃; for 24h; Reagent/catalyst; Koenigs-Knorr Glycosidation; stereoselective reaction; | 99% |
Conditions | Yield |
---|---|
With tetraethylammonium bromide; potassium carbonate In dichloromethane at 20℃; Molecular sieve; | 99% |
Conditions | Yield |
---|---|
With tetraethylammonium bromide; potassium carbonate In dichloromethane at 20℃; Molecular sieve; | 99% |
Conditions | Yield |
---|---|
With tetraethylammonium bromide; potassium carbonate In dichloromethane at 20℃; Molecular sieve; | 99% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
potassium thioacetate
O2,O3,O4,O6,S-Pentaacetyl-1-thio-β-D-glucopyranose
Conditions | Yield |
---|---|
for 2h; Neat (no solvent); Ball milling; | 98% |
In acetone at 20℃; for 8h; | 88% |
In acetone at 20℃; | 86% |
allyl alcohol
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
Acetic acid (2R,3R,4S,5R,6R)-3,5-diacetoxy-2-acetoxymethyl-6-allyloxy-tetrahydro-pyran-4-yl ester
Conditions | Yield |
---|---|
With copper(II) sulfate; mercury dibromide; mercury(II) oxide In chloroform at 0 - 20℃; for 10h; | 98% |
With indium(III) chloride; 4 A molecular sieve In dichloromethane at 0 - 3℃; for 72h; | 86% |
With metal carbonates In neat (no solvent) for 2.5h; Milling; | 82% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
1-deoxy-D-glucose tetraacetate
Conditions | Yield |
---|---|
With -butyl vinyl ether | 98% |
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; for 1h; | 97% |
With 2,2'-azobis(isobutyronitrile); phenylsilane for 1.16667h; Heating; | 90% |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
2-(acetoxymethyl)-6-fluorotetrahydro-2H-pyran-3,4,5-triyl triacetate
Conditions | Yield |
---|---|
With silver fluoride In acetonitrile at 20℃; Inert atmosphere; Darkness; | 98% |
With triethylamine tris(hydrogen fluoride) In tetrachloromethane for 2h; Heating; | 83% |
With (trifluoromethyl)zinc chloride; 3 A molecular sieve In dichloromethane for 12h; Ambient temperature; | 83% |
With potassium hydrogen bifluoride In acetonitrile for 24h; Heating; | 70% |
With silver fluoride; acetonitrile |
1,2:3,4-di-O-isopropylidene-α-D-galactopyranose
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
3,4,6-Tri-O-acetyl-1,2-O-<1-(exo-1,2:3,4-di-O-isopropylidene-α-D-galacatopyranose-6-yl)ethylidene>-α-D-glucopyranose
Conditions | Yield |
---|---|
With silver imidazolate; mercury dichloride In dichloromethane for 24h; 3 Angstroem molecular sieves; | 98% |
With 4 A molecular sieve; tetrabutylammomium bromide; N-ethyl-N,N-diisopropylamine In dichloromethane at 40℃; under 6000480 Torr; for 20h; Yield given; |
Product Name: Acetobromglucose (CAS NO.572-09-8)
Molecular Formula: C14H19BrO9
Molecular Weight: 411.20g/mol
Mol File: 572-09-8.mol
EINECS: 209-339-0
Appearance: White powder
Melting Point: 83-88 ºC
Boiling point: 412 °C at 760 mmHg
Flash Point: 203 °C
Density: 1.49 g/cm3
Water Solubility: Decomposes
Surface Tension: 47.9 dyne/cm
Enthalpy of Vaporization: 66.46 kJ/mol
Vapour Pressure: 5.35E-07 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 9
Structure Descriptors of Acetobromglucose (CAS NO.572-09-8):
IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]acetate
Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey: CYAYKKUWALRRPA-RGDJUOJXSA-N
Safety Information of Acetobromglucose (CAS NO.572-09-8):
Safety Statements: S24/25
24: Avoid contact with skin
25: Avoid contact with eyes
Acetobromglucose , its CAS NO. is 572-09-8, the synonyms are EINECS 209-339-0 ; 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromide ; alpha-D-Glucopyranosyl bromide, tetraacetate .
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