chempirical

Hexyl β-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

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

8 names
  • 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 Hexyl 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

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