2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose

C34H36O6CAS 4132-28-9540.66 g/mol

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Properties

Molecular formula
C34H36O6
Molar mass
540.66 g/mol
Exact mass
540.2512 Da
Melting point
145–149 °C
logP
5.68Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
13
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4132-28-9
SMILES
OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIKey
OGOMAWHSXRDAKZ-BKJHVTENSA-N
InChI
InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34?/m1/s1

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Names and synonyms

5 names
  • D-Glucopyranose, 2,3,4,6-tetrakis-O-(phenylmethyl)-
  • Glucopyranose, 2,3,4,6-tetra-O-benzyl-, D-
  • Glucopyranose, 2,3,4,6-tetra-O-benzyl-
  • 2,3,4,6-Tetra-O-benzoyl-D-glucopyranose
  • 2,3,4,6-Tetra-O-benzyl-glucopyranose

Work with 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-9Diastereomer 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-3Stereoisomer

Similar compounds

2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-897 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-263 % similar Tribenoside10310-32-453 % similar 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-053 % similar 2 3 4 6-Tetra-O-benzyl-alpha-D-glucopyr&74808-09-653 % similar 2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone13096-62-351 % similar 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose53928-30-651 % similar (1S,2R,3S,5R)-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane110567-22-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R,3S,4S,5R)-2,3,4,6-Tetrakis(benzyloxy)-5-hydroxyhexanal53081-25-7

Elsewhere

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