ChemSpider 2D Image | (2S)-Phenyl{[6-O-(alpha-D-ribopyranosyl)-beta-L-talopyranosyl]oxy}acetonitrile | C19H25NO10

(2S)-Phenyl{[6-O-(α-D-ribopyranosyl)-β-L-talopyranosyl]oxy}acetonitrile

  • Molecular FormulaC19H25NO10
  • Average mass427.402 Da
  • Monoisotopic mass427.147858 Da
  • ChemSpider ID62569013

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S)-Phenyl{[6-O-(α-D-ribopyranosyl)-β-L-talopyranosyl]oxy}acetonitril [German] [ACD/IUPAC Name]
(2S)-Phenyl{[6-O-(α-D-ribopyranosyl)-β-L-talopyranosyl]oxy}acetonitrile [ACD/IUPAC Name]
(2S)-Phényl{[6-O-(α-D-ribopyranosyl)-β-L-talopyranosyl]oxy}acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[(6-O-α-D-ribopyranosyl-β-L-talopyranosyl)oxy]-, (αS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.62
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.62
Polar Surface Area: 182 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

Click to predict properties on the Chemicalize site


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