chempirical

1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose

C14H20O10CAS 13100-46-4348.30 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEther

Properties

Molecular formula
C14H20O10
Molar mass
348.30 g/mol
Exact mass
348.1056 Da
Melting point
128–129 °C
Boiling point
0.12–4 °C
logP
-0.94Crippen estimate
Polar surface area
134.7 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
5
Stereocentres
S, R, R, S, Rin SMILES atom order

Identifiers

CAS number
13100-46-4
SMILES
CC(=O)O[C@@H]1O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIKey
FEQXFAYSNRWXDW-RKQHYHRCSA-N
InChI
InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • β-D-Glucopyranose, 1,2,3,4-tetraacetate
  • Glucopyranose, 1,2,3,4-tetraacetate, β-D-
  • 1,2,3,4-Tetra-O-acetyl-β-D-glucose
  • NSC 409250

Work with 1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose

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-galactopyranose4163-59-167 % similar β-D-Galactose pentaacetate4163-60-467 % similar α-D-Mannose pentaacetate4163-65-967 % similar Penta-O-acetyl-α-D-glucopyranose604-68-267 % similar β-D-Glucose pentaacetate604-69-367 % similar Glucose pentaacetate83-87-467 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-564 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-964 % similar

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

Same formula

1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook