ChemSpider 2D Image | Lotaustralin | C11H19NO6

Lotaustralin

  • Molecular FormulaC11H19NO6
  • Average mass261.272 Da
  • Monoisotopic mass261.121246 Da
  • ChemSpider ID22936661

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
2(R)-hydroxy-2-methylbutyronitrile-β-D- glucopyranoside
2-(β-D-Glucopyranosyloxy)-2-methylbutanenitrile [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-2-méthylbutanenitrile [French] [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-2-methylbutannitril [German] [ACD/IUPAC Name]
534-67-8 [RN]
Butanenitrile, 2-(β-D-glucopyranosyloxy)-2-methyl- [ACD/Index Name]
Lotaustralin [Wiki]
(2RS)-Lotaustralin
1973415-50-7 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 479.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 60.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.04
Polar Surface Area: 123 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 191.5±5.0 cm3

Click to predict properties on the Chemicalize site


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