Octyl α-D-glucopyranoside

C14H28O6CAS 29781-80-4292.37 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C14H28O6
Molar mass
292.37 g/mol
Exact mass
292.1886 Da
logP
0.16Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9
Stereocentres
S, 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
29781-80-4
SMILES
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
HEGSGKPQLMEBJL-RGDJUOJXSA-N
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • α-D-Glucopyranoside, octyl
  • Glucopyranoside, octyl, α-D-
  • 1-Octyl α-D-glucopyranoside
  • α-1-n-Octyl-D-glucopyranoside
  • n-Octyl α-D-glucopyranoside
  • 1-O-Octyl-α-D-glucopyranoside
  • Octyl α-glucoside
  • Octyl α-D-glucoside
  • GS-AG 8S

Work with Octyl α-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.

Octyl glucoside29836-26-8Diastereomer

Similar compounds

Decyl glucoside58846-77-8100 % similar n-Hexyl beta-D-glucopyranoside59080-45-4100 % similar Lauryl glucoside59122-55-3100 % similar Nonyl β-D-glucopyranoside69984-73-2100 % similar Dodecyl β-D-maltoside69227-93-685 % similar Decyl beta-D-maltopyranoside82494-09-585 % similar n-Heptyl β-D-thioglucoside85618-20-865 % similar N-Octyl beta-D-thioglucopyranoside85618-21-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook