ChemSpider 2D Image | (2S)-(alpha-L-Idopyranosyloxy)(phenyl)acetonitrile | C14H17NO6

(2S)-(α-L-Idopyranosyloxy)(phenyl)acetonitrile

  • Molecular FormulaC14H17NO6
  • Average mass295.288 Da
  • Monoisotopic mass295.105591 Da
  • ChemSpider ID68905828

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-(α-L-Idopyranosyloxy)(phenyl)acetonitril [German] [ACD/IUPAC Name]
(2S)-(α-L-Idopyranosyloxy)(phenyl)acetonitrile [ACD/IUPAC Name]
(2S)-(α-L-Idopyranosyloxy)(phényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-(α-L-idopyranosyloxy)-, (αS)- [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: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.33
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.33
Polar Surface Area: 123 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 202.3±5.0 cm3

Click to predict properties on the Chemicalize site


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