ChemSpider 2D Image | (4beta,5beta)-3-Hydroxy-17-oxo-4,5-epoxyandrost-2-ene-2-carbonitrile | C20H25NO3

(4β,5β)-3-Hydroxy-17-oxo-4,5-epoxyandrost-2-ene-2-carbonitrile

  • Molecular FormulaC20H25NO3
  • Average mass327.417 Da
  • Monoisotopic mass327.183441 Da
  • ChemSpider ID58807896

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4β,5β)-3-Hydroxy-17-oxo-4,5-epoxyandrost-2-en-2-carbonitril [German] [ACD/IUPAC Name]
(4β,5β)-3-Hydroxy-17-oxo-4,5-epoxyandrost-2-ene-2-carbonitrile [ACD/IUPAC Name]
(4β,5β)-3-Hydroxy-17-oxo-4,5-époxyandrost-2-ène-2-carbonitrile [French] [ACD/IUPAC Name]
Androst-2-ene-2-carbonitrile, 4,5-epoxy-3-hydroxy-17-oxo-, (4β,5β)- [ACD/Index Name]
(4??,5??)-4,5-epoxy-3-hydroxy-17-oxo-Androst-2-ene-2-carbonitrile
94152-62-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.4±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.41
ACD/KOC (pH 5.5): 534.23
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.66
ACD/KOC (pH 7.4): 501.80
Polar Surface Area: 74 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 254.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement