Phenylmethyl β-L-arabinopyranoside

C₁₂H₁₆O₅CAS 7473-38-3240.25 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₂H₁₆O₅
Molar mass: 240.25 g/mol
Exact mass: 240.0998 Da
Melting point: 172–173 °C
logP: -0.36Crippen estimate
Polar surface area: 79.2 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 3
Stereocentres: 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

7473-38-3

SMILES

O[C@@H]1[C@@H](O)[C@@H](OCc2ccccc2)OC[C@@H]1O

InChIKey

XUGMDBJXWCFLRQ-YFKTTZPYSA-N

InChI

InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12-/m0/s1

Weigh it out

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

Names and synonyms

4 names

β-L-Arabinopyranoside, phenylmethyl
Arabinopyranoside, benzyl, β-L-
Benzyl β-L-arabinopyranoside
NSC 400277

Work with Phenylmethyl β-L-arabinopyranoside

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

(-)-1,4-Di-O-benzyl-L-threitol17401-06-851 % similar (+)-1,4-Di-O-benzyl-D-threitol91604-41-051 % similar Rosavin84954-92-749 % similar Methyl beta-L-arabinopyranoside1825-00-947 % similar Methyl beta-D-arabinopyranoside5328-63-247 % similar Methyl β-D-xylopyranoside612-05-547 % similar o-Nitrophenyl β-D-xylopyranoside10238-27-446 % similar 2-(Phenylmethoxy)-1,3-propanediol14690-00-743 % similar

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

Same formula

4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid136849-75-7 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-2 Ethyl 3,4,5-trimethoxybenzoate6178-44-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook