chempirical

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

C20H24O9SCAS 24404-53-3440.46 g/mol

Open in Covalent MOL file
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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

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

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

((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 Penta-O-acetyl-α-D-glucopyranose604-68-254 % similar β-D-Glucose pentaacetate604-69-354 % similar Glucose pentaacetate83-87-454 % similar α-Acetobromogalactose3068-32-453 % similar

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

Elsewhere

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