Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside

C20H24O9SCAS 24404-53-3440.46 g/mol

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EsterEtherSulfide

Properties

Molecular formula
C20H24O9S
Molar mass
440.46 g/mol
Exact mass
440.1141 Da
logP
1.86Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
7
Stereocentres
R, S, S, R, Sin 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
24404-53-3
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey
JCKOUAWEMPKIAT-CXQPBAHBSA-N
InChI
InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1

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Work with Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside

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

Ethyl 2,3,4,6-tetra-O-acetyl-A-D-thioglucopyranoside41670-79-560 % similar 1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose39686-94-756 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-854 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-154 % similar β-D-Galactose pentaacetate4163-60-454 % similar α-D-Mannose pentaacetate4163-65-954 % similar Alpha-D-glucose pentaacetate604-68-254 % similar Beta-D-Glucose pentaacetate604-69-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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