2-Naphthalenyl β-D-galactopyranoside

C₁₆H₁₈O₆CAS 33993-25-8306.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₆H₁₈O₆
Molar mass: 306.31 g/mol
Exact mass: 306.1103 Da
logP: 0.02Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 3
Stereocentres: R, S, R, S, Rin SMILES atom order

Identifiers

CAS number

33993-25-8

SMILES

OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O

InChIKey

MWHKPYATGMFFPI-LYYZXLFJSA-N

InChI

InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16-/m1/s1

Weigh it out

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

Names and synonyms

5 names

β-D-Galactopyranoside, 2-naphthalenyl
Galactopyranoside, 2-naphthyl, β-D-
2-Naphthyl β-galactoside
2-Naphthyl β-D-galactopyranoside
β-Naphthyl β-D-galactopyranoside

Work with 2-Naphthalenyl β-D-galactopyranoside

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

6-Bromo-2-naphthalenyl β-D-glucopyranoside15548-61-575 % similar 6-Bromo-2-naphthalenyl β-D-galactopyranoside15572-30-275 % similar Phenyl β-D-glucopyranoside1464-44-470 % similar Phenyl β-D-galactopyranoside2818-58-870 % similar Phenyl α-D-glucopyranoside4630-62-070 % similar Arbutin497-76-764 % similar α-Arbutin84380-01-864 % similar Skimmin93-39-062 % similar

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

Same formula

Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride122640-83-9 Cimifugin37921-38-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook