chempirical

Penta-O-acetyl-α-D-glucopyranose

C16H22O11CAS 604-68-2390.34 g/mol

Open in Covalent MOL file
OOOOOOOOOOO
AcetalEsterEther

Properties

Molecular formula
C16H22O11
Molar mass
390.34 g/mol
Exact mass
390.1162 Da
Melting point
113.3 °C
Boiling point
0.115–4 °C
logP
-0.37Crippen estimate
Polar surface area
140.7 Ų
H-bond donors / acceptors
0 / 11
Rotatable bonds
6
Stereocentres
R, R, R, S, Rin SMILES atom order

Identifiers

CAS number
604-68-2
SMILES
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
LPTITAGPBXDDGR-LJIZCISZSA-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

Weigh it out

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

Names and synonyms

12 names
  • α-D-Glucopyranose, 1,2,3,4,6-pentaacetate
  • Glucopyranose, pentaacetate, α-D-
  • α-D-Glucopyranose, pentaacetate
  • α-D-Glucose pentaacetate
  • 1,2,3,4,6-Penta-O-acetyl-α-D-glucopyranose
  • Pentaacetyl-α-D-glucose
  • α-D-Glucopyranosyl pentaacetate
  • Pentaacetyl-α-D-glucopyranose
  • NSC 119335
  • NSC 9290
  • 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl acetate
  • 1,2,3,4,6-Tetra-O-acetyl-α-D-glucopyranoside

Work with Penta-O-acetyl-α-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

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 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-373 % similar α-Acetobromogalactose3068-32-469 % similar 2-Amino-2-deoxy-1,3,4,6-tetra-O-acetyl-β,D-glucopyranose hydrochloride10034-20-569 % similar Tetra-O-acetyl-1-thio-β-D-glucopyranose19879-84-668 % similar 1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose13100-46-467 % 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 Penta-O-acetyl-α-D-galactopyranose4163-59-1 β-D-Galactose pentaacetate4163-60-4 α-D-Mannose pentaacetate4163-65-9 Monotropein5945-50-6 β-D-Glucose pentaacetate604-69-3 Glucose pentaacetate83-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook