ChemSpider 2D Image | (5alpha,15alpha,19E)-17-Hydroxyvobasan-3-one | C20H24N2O2

(5α,15α,19E)-17-Hydroxyvobasan-3-one

  • Molecular FormulaC20H24N2O2
  • Average mass324.417 Da
  • Monoisotopic mass324.183777 Da
  • ChemSpider ID78315897

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5α,15α,19E)-17-Hydroxyvobasan-3-on [German] [ACD/IUPAC Name]
(5α,15α,19E)-17-Hydroxyvobasan-3-one [ACD/IUPAC Name]
(5α,15α,19E)-17-Hydroxyvobasan-3-one [French] [ACD/IUPAC Name]
Vobasan-3-one, 17-hydroxy-, (5α,15α,19E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.666
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 10.33
ACD/KOC (pH 7.4): 96.56
Polar Surface Area: 56 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement