6-Bromo-2-naphthalenyl β-D-glucopyranoside

C₁₆H₁₇BrO₆CAS 15548-61-5385.21 g/mol

Open in Covalent MOL file

Acetal Alcohol Aryl halide Ether

Properties

Molecular formula: C₁₆H₁₇BrO₆
Molar mass: 385.21 g/mol
Exact mass: 384.0209 Da
Melting point: 206–207 °C
logP: 0.78Crippen 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

Identifiers

CAS number

15548-61-5

SMILES

OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

NLRXQZJJCPRATR-IBEHDNSVSA-N

InChI

InChI=1S/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13-,14+,15-,16-/m1/s1

Weigh it out

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

Names and synonyms

4 names

β-D-Glucopyranoside, 6-bromo-2-naphthalenyl
Glucopyranoside, 6-bromo-2-naphthyl, β-D-
6-Bromo-2-naphthyl β-D-glucopyranoside
6-Bromo-2-naphthyl-β-D-glucoside

Work with 6-Bromo-2-naphthalenyl 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

Similar compounds

2-Naphthalenyl β-D-galactopyranoside33993-25-875 % similar Arbutin497-76-764 % similar α-Arbutin84380-01-864 % similar Skimmin93-39-058 % similar Phenyl β-D-glucopyranoside1464-44-458 % similar Phenyl β-D-galactopyranoside2818-58-858 % similar Phenyl α-D-glucopyranoside4630-62-058 % similar Methylarbutin6032-32-257 % similar

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

Same formula

6-Bromo-2-naphthalenyl β-D-galactopyranoside15572-30-2

Elsewhere

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