ChemSpider 2D Image | (17beta)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile | C20H27NO2

(17β)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile

  • Molecular FormulaC20H27NO2
  • Average mass313.434 Da
  • Monoisotopic mass313.204193 Da
  • ChemSpider ID32077051

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17β)-17-Hydroxy-3-oxoandrost-4-en-17-carbonitril [German] [ACD/IUPAC Name]
(17β)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile [ACD/IUPAC Name]
(17β)-17-Hydroxy-3-oxoandrost-4-ène-17-carbonitrile [French] [ACD/IUPAC Name]
Androst-4-ene-17-carbonitrile, 17-hydroxy-3-oxo-, (17β)- [ACD/Index Name]
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
17α-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile
38394-98-8 [RN]
MFCD18452761 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 498.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 255.3±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.78
ACD/KOC (pH 5.5): 658.32
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.77
ACD/KOC (pH 7.4): 658.22
Polar Surface Area: 61 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 266.6±5.0 cm3

Click to predict properties on the Chemicalize site


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