chempirical

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

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

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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

Similar compounds

Decyl glucoside58846-77-8100 % similar Hexyl β-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 β-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

Same formula

Octyl glucoside29836-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook