chempirical

n-Hexyl beta-D-glucopyranoside

C12H24O6CAS 59080-45-4264.32 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C12H24O6
Molar mass
264.32 g/mol
Exact mass
264.1573 Da
Melting point
88–91 °C
logP
-0.62Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
7
Stereocentres
R, R, S, S, Rin 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
59080-45-4
SMILES
CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
JVAZJLFFSJARQM-RMPHRYRLSA-N
InChI
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Hexyl β-D-glucopyranoside
  • β-D-Glucopyranoside, hexyl
  • Hexyl glucoside
  • n-Hexyl-β-D-glucoside
  • n-Hexyl β-D-glucopyranoside
  • 1-Hexyl β-D-glucoside
  • APG 06
  • Sucraph AG 6206
  • Triton CG 6

Work with n-Hexyl beta-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

Octyl α-D-glucopyranoside29781-80-4100 % similar Octyl glucoside29836-26-8100 % similar Decyl glucoside58846-77-8100 % similar Lauryl glucoside59122-55-3100 % similar Nonyl β-D-glucopyranoside69984-73-2100 % similar Dodecyl β-D-maltoside69227-93-685 % similar Decyl β-D-maltopyranoside82494-09-585 % similar n-Heptyl β-D-thioglucoside85618-20-865 % similar

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

Same formula

18-Crown-617455-13-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook