ChemSpider 2D Image | (2S)-2-{[6-O-(beta-L-Glucopyranosyl)-beta-L-glucopyranosyl]oxy}-2-methylbutanenitrile | C17H29NO11

(2S)-2-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-2-methylbutanenitrile

  • Molecular FormulaC17H29NO11
  • Average mass423.412 Da
  • Monoisotopic mass423.174072 Da
  • ChemSpider ID127404892

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-2-methylbutanenitrile [ACD/IUPAC Name]
(2S)-2-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-2-méthylbutanenitrile [French] [ACD/IUPAC Name]
(2S)-2-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-2-methylbutannitril [German] [ACD/IUPAC Name]
Butanenitrile, 2-[(6-O-β-L-glucopyranosyl-β-L-glucopyranosyl)oxy]-2-methyl-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 705.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.12
Polar Surface Area: 202 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 277.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement