chempirical

2,3,4,5,6-Penta-O-acetyl-D-glucose

C16H22O11CAS 3891-59-6390.34 g/mol

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AldehydeEster

Properties

Molecular formula
C16H22O11
Molar mass
390.34 g/mol
Exact mass
390.1162 Da
Melting point
130–131 °C
logP
-0.52Crippen estimate
Polar surface area
148.6 Ų
H-bond donors / acceptors
0 / 11
Rotatable bonds
10
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
3891-59-6
SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OC(C)=O
InChIKey
UAOKXEHOENRFMP-ZJIFWQFVSA-N
InChI
InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3/t13-,14+,15+,16+/m0/s1

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

Names and synonyms

2 names
  • D-Glucose, 2,3,4,5,6-pentaacetate
  • Penta-O-acetyl-aldehydo-D-glucose

Work with 2,3,4,5,6-Penta-O-acetyl-D-glucose

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tri-O-acetyl-D-glucal2873-29-257 % similar Tri-O-acetyl-D-galactal4098-06-057 % similar D-Gluconic acid δ-lactone 2,3,4,6-tetraacetate61259-48-156 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-555 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-955 % similar α-Acetobromogalactose3068-32-452 % similar α-Acetobromoglucose572-09-852 % similar Tetra-O-acetyl-1-thio-β-D-glucopyranose19879-84-651 % similar

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

Same formula

Penta-O-acetyl-α-D-galactopyranose4163-59-1 β-D-Galactose pentaacetate4163-60-4 α-D-Mannose pentaacetate4163-65-9 Monotropein5945-50-6 Penta-O-acetyl-α-D-glucopyranose604-68-2 β-D-Glucose pentaacetate604-69-3 Glucose pentaacetate83-87-4

Elsewhere

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