Glucose pentaacetate

C16H22O11CAS 83-87-4390.34 g/mol

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AcetalEsterEther

Properties

Molecular formula
C16H22O11
Molar mass
390.34 g/mol
Exact mass
390.1162 Da
Melting point
129–130 °C
Boiling point
452 °C
logP
-0.37Crippen estimate
Polar surface area
140.7 Ų
H-bond donors / acceptors
0 / 11
Rotatable bonds
6
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
83-87-4
SMILES
CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
LPTITAGPBXDDGR-IWQYDBTJSA-N
InChI
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16?/m1/s1

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Names and synonyms

14 names · show all
  • D-Glucopyranose, 1,2,3,4,6-pentaacetate
  • Glucopyranose, pentaacetate, D-
  • D-Glucopyranose, pentaacetate
  • D-Glucose, 1,2,3,4,6-pentaacetate
  • 1,2,3,4,6-Penta-O-acetyl-D-glucopyranose
  • Pentaacetylglucose
  • Pentaacetyl-D-glucose
  • Peracetylated D-glucose
  • Penta-O-acetyl-D-glucopyranose
  • Glucopyranose pentaacetate
  • Pagosten-1
  • Peracetyl-D-glucose
  • D-Glucose pentaacetate
  • Penta-O-acetyl-D-glucopyranoside

Work with Glucose pentaacetate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-8Diastereomer Beta-D-Glucose pentaacetate604-69-3Stereoisomer β-D-Galactose pentaacetate4163-60-4Stereoisomer Alpha-D-glucose pentaacetate604-68-2Stereoisomer Penta-O-acetyl-α-D-galactopyranose4163-59-1Stereoisomer α-D-Mannose pentaacetate4163-65-9Stereoisomer

Similar compounds

1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-597 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-997 % similar Octaacetyl-β-maltose22352-19-891 % similar Alpha-D-cellobiose octaacetate5346-90-791 % similar 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-373 % similar Alpha-Acetobromogalactose3068-32-469 % similar 2,3,4,6-Tetraacetyl-α-D-glucopyranosyl bromide572-09-869 % similar 2-Amino-2-deoxy-1,3,4,6-tetra-O-acetyl-β,D-glucopyranose hydrochloride10034-20-569 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5,6-Penta-O-acetyl-D-glucose3891-59-6 Monotropein5945-50-6

Elsewhere

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