chempirical

Methyl 2,3,4-tri-O-benzyl-α-D-glucopyranoside

C28H32O6CAS 53008-65-4464.56 g/mol

Open in Covalent MOL file
OOOHOOO
AcetalAlcoholEther

Properties

Molecular formula
C28H32O6
Molar mass
464.56 g/mol
Exact mass
464.2199 Da
Melting point
68–69.5 °C
logP
4.11Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
11
Stereocentres
S, R, R, S, Rin SMILES atom order

Identifiers

CAS number
53008-65-4
SMILES
CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIKey
MOKYEUQDXDKNDX-DFLSAPQXSA-N
InChI
InChI=1S/C28H32O6/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1

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

Names and synonyms

2 names
  • α-D-Glucopyranoside, methyl 2,3,4-tris-O-(phenylmethyl)-
  • Methyl 2,3,4-tris-O-(phenylmethyl)-α-D-glucopyranoside

Work with Methyl 2,3,4-tri-O-benzyl-α-D-glucopyranoside

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 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-271 % similar 2-(Phenylmethoxy)-1,3-propanediol14690-00-748 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-946 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-946 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-346 % similar Phenylmethyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside13343-62-945 % similar Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside4099-85-844 % similar Methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside114903-05-843 % similar

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

Elsewhere

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