Nonyl β-D-glucopyranoside

C15H30O6CAS 69984-73-2306.40 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C15H30O6
Molar mass
306.40 g/mol
Exact mass
306.2042 Da
Melting point
65–118 °C
logP
0.55Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10
Stereocentres
R, R, S, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
69984-73-2
SMILES
CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
QFAPUKLCALRPLH-UXXRCYHCSA-N
InChI
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1

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Names and synonyms

7 names
  • β-D-Glucopyranoside, nonyl
  • Nonyl β-glucopyranoside
  • n-Nonyl β-D-glucopyranoside
  • Nonyl glucoside
  • Nonyl β-D-glucoside
  • n-Nonyl β-glucoside
  • Nonyl beta-D-glucopyranoside

Work with Nonyl 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 n-Hexyl beta-D-glucopyranoside59080-45-4100 % similar Lauryl glucoside59122-55-3100 % similar Dodecyl β-D-maltoside69227-93-685 % similar Decyl beta-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

Elsewhere

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