Phenyl β-D-glucopyranoside

C₁₂H₁₆O₆CAS 1464-44-4256.25 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₂H₁₆O₆
Molar mass: 256.25 g/mol
Exact mass: 256.0947 Da
Melting point: 176–178 °C
logP: -1.13Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 3
Stereocentres: R, S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1464-44-4

SMILES

OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

NEZJDVYDSZTRFS-RMPHRYRLSA-N

InChI

InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1

Weigh it out

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

Names and synonyms

3 names

β-D-Glucopyranoside, phenyl
Glucopyranoside, phenyl, β-D-
Phenyl β-D-glucoside

Work with Phenyl β-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

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.

Phenyl α-D-glucopyranoside4630-62-0Diastereomer Phenyl β-D-galactopyranoside2818-58-8Diastereomer

Similar compounds

Arbutin497-76-775 % similar α-Arbutin84380-01-875 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-771 % similar 4-Aminophenyl-beta-galactoside5094-33-771 % similar 4-Methoxyphenylglucoside6032-32-271 % similar Gastrodin62499-27-871 % similar 2-Naphthalenyl β-D-galactopyranoside33993-25-870 % similar Helicide80154-34-366 % similar

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

Same formula

Diethyl succinylsuccinate787-07-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook