chempirical

Ethyl 2,3,4,6-tetra-O-acetyl-A-D-thioglucopyranoside

C16H24O9SCAS 41670-79-5392.42 g/mol

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EsterEtherSulfide

Properties

Molecular formula
C16H24O9S
Molar mass
392.42 g/mol
Exact mass
392.1141 Da
logP
0.82Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
7
Stereocentres
R, R, S, R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
41670-79-5
SMILES
CCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey
YPNFVZQPWZMHIF-IBEHDNSVSA-N
InChI
InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1

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Work with Ethyl 2,3,4,6-tetra-O-acetyl-A-D-thioglucopyranoside

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 acetate25878-60-861 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-161 % similar β-D-Galactose pentaacetate4163-60-461 % similar α-D-Mannose pentaacetate4163-65-961 % similar Penta-O-acetyl-α-D-glucopyranose604-68-261 % similar β-D-Glucose pentaacetate604-69-361 % similar Glucose pentaacetate83-87-461 % similar Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside24404-53-360 % similar

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

Elsewhere

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