Tetra-O-acetyl-1-thio-β-D-glucopyranose

C14H20O9SCAS 19879-84-6364.37 g/mol

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EsterEtherThiol

Properties

Molecular formula
C14H20O9S
Molar mass
364.37 g/mol
Exact mass
364.0828 Da
Melting point
74–75 °C
logP
0.00Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
5
Stereocentres
R, S, 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
19879-84-6
SMILES
CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
SFOZKJGZNOBSHF-RGDJUOJXSA-N
InChI
InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1

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Names and synonyms

14 names · show all
  • β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate
  • Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate, β-D-
  • Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate
  • 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranose
  • β-D-Thioglucopyranose 2,3,4,6-tetraacetate
  • SKF 83940D
  • 1-Thio-β-D-glucopyranose tetraacetate
  • 1-Thio-β-D-glucose tetraacetate
  • NSC 97032
  • 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranoside
  • 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glycopyranose
  • 2,3,4,6-Tetra-O-acetyl-β-D-1-thioglucopyranoside
  • 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucose
  • Beta-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate

Work with Tetra-O-acetyl-1-thio-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-868 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-168 % similar β-D-Galactose pentaacetate4163-60-468 % similar α-D-Mannose pentaacetate4163-65-968 % similar Alpha-D-glucose pentaacetate604-68-268 % similar Beta-D-Glucose pentaacetate604-69-368 % similar Glucose pentaacetate83-87-468 % similar Alpha-Acetobromogalactose3068-32-466 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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