chempirical

Phenyl α-D-glucopyranoside

C12H16O6CAS 4630-62-0256.25 g/mol

Open in Covalent MOL file
HOOOOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C12H16O6
Molar mass
256.25 g/mol
Exact mass
256.0947 Da
Melting point
174 °C
logP
-1.13Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3
Stereocentres
R, R, R, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
4630-62-0
SMILES
OC[C@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
NEZJDVYDSZTRFS-ZIQFBCGOSA-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

5 names
  • α-D-Glucopyranoside, phenyl
  • Glucopyranoside, phenyl, α-D-
  • Phenyl α-D-glucoside
  • NSC 226967
  • Phenyl alpha-D-glucopyranoside

Work with Phenyl 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

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 β-D-galactopyranoside2818-58-8Diastereomer Phenyl β-D-glucopyranoside1464-44-4Diastereomer

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