chempirical

α-Acetobromoglucose

C14H19BrO9CAS 572-09-8411.20 g/mol

Open in Covalent MOL file
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Alkyl halideEsterEther

Properties

Molecular formula
C14H19BrO9
Molar mass
411.20 g/mol
Exact mass
410.0212 Da
Melting point
88.5 °C
Boiling point
0.125–30 °C
logP
0.46Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
0 / 9
Rotatable bonds
5
Stereocentres
R, R, R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
572-09-8
SMILES
CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
CYAYKKUWALRRPA-RGDJUOJXSA-N
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

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Names and synonyms

24 names · show all
  • α-D-Glucopyranosyl bromide, 2,3,4,6-tetraacetate
  • Glucopyranosyl bromide, tetraacetate, α-D-
  • α-D-Glucopyranosyl bromide, tetraacetate
  • α-Acetobromglucose
  • 2,3,4,6-Tetraacetyl-α-D-glucopyranosyl bromide
  • Acetobromoglucose
  • Tetra-O-acetyl-α-D-glucopyranosyl bromide
  • 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl bromide
  • α-D-Glucosyl bromide tetraacetate
  • Acetobromglucose
  • Acetylbromoglucose
  • 2,3,4,6-Tetra-O-acetyl-α-D-bromoglucopyranose
  • D-Acetobromoglucose
  • Acetobromo-D-glucose
  • Tetra-O-acetyl-α-D-glucosyl bromide
  • α-Bromoglucose tetraacetate
  • Acetobromo-α-D-glucose
  • α-D-Acetobromoglucose
  • 1-Bromo-α-D-glucose tetraacetate
  • α-D-Bromotetraacetylglucose
  • 2,3,4,6-Tetra-O-acetyl-1-α-bromo-D-glucopyranose
  • 1-Bromo-2,3,4,6-tetra(O-acetyl)-α-D-pyranoglucose
  • α-D-Tetraacetylglucopyranosyl bromide
  • 1-Bromo-1-deoxy-2,3,4,6-tetra-O-acetyl-α-D-glucopyranose

Reactions

Work with α-Acetobromoglucose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Penta-O-acetyl-α-D-galactopyranose4163-59-169 % similar β-D-Galactose pentaacetate4163-60-469 % similar α-D-Mannose pentaacetate4163-65-969 % similar Penta-O-acetyl-α-D-glucopyranose604-68-269 % similar β-D-Glucose pentaacetate604-69-369 % similar Glucose pentaacetate83-87-469 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-567 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-967 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

α-Acetobromogalactose3068-32-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook