2-Naphthalenyl β-D-galactopyranoside

C16H18O6CAS 33993-25-8306.31 g/mol

Open in Covalent MOL file
OHOOHOHOHO
AcetalAlcoholEther

Properties

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

Hazards

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

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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

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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

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