Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside

C₃₅H₃₈O₆CAS 53008-63-2554.68 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₃₅H₃₈O₆
Molar mass: 554.68 g/mol
Exact mass: 554.2668 Da
logP: 6.33Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 14
Stereocentres: S, R, S, S, Rin SMILES atom order

Identifiers

CAS number

53008-63-2

SMILES

CO[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

InChIKey

IXEBJCKOMVGYKP-NVCPMKERSA-N

InChI

InChI=1S/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32+,33+,34-,35+/m1/s1

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Names and synonyms

3 names

α-D-Galactopyranoside, methyl 2,3,4,6-tetrakis-O-(phenylmethyl)-
Methyl 2,3,4,6-tetrakis-O-(phenylmethyl)-α-D-galactopyranoside
Methyl tetra-O-benzyl-α-D-galactopyranoside

Work with Methyl 2,3,4,6-tetra-O-benzyl-α-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

Methyl 2,3,4-tri-O-benzyl-α-D-glucopyranoside53008-65-471 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-963 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-963 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-363 % similar 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose53928-30-655 % similar Tribenoside10310-32-451 % similar 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose52522-49-349 % similar 2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone13096-62-349 % similar

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

Elsewhere

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