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

C16H17BrO6CAS 15548-61-5385.21 g/mol

Open in Covalent MOL file
OHOOBrHOHOHO
AcetalAlcoholAryl halideEther

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 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3
Stereocentres
R, S, 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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

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

Similar compounds

2-Naphthalenyl β-D-galactopyranoside33993-25-875 % similar Arbutin497-76-764 % similar α-Arbutin84380-01-864 % similar Skimmin93-39-058 % similar 5-Bromo-3-indolyl-beta-galactoside97753-82-758 % similar Phenyl β-D-glucopyranoside1464-44-458 % similar Phenyl β-D-galactopyranoside2818-58-858 % similar Phenyl α-D-glucopyranoside4630-62-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook