ChemSpider 2D Image | (3alpha,17beta)-3-Hydroxyandrostane-17-carbonitrile | C20H31NO

(3α,17β)-3-Hydroxyandrostane-17-carbonitrile

  • Molecular FormulaC20H31NO
  • Average mass301.466 Da
  • Monoisotopic mass301.240570 Da
  • ChemSpider ID31106575

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,17β)-3-Hydroxyandrostan-17-carbonitril [German] [ACD/IUPAC Name]
(3α,17β)-3-Hydroxyandrostane-17-carbonitrile [ACD/IUPAC Name]
(3α,17β)-3-Hydroxyandrostane-17-carbonitrile [French] [ACD/IUPAC Name]
Androstane-17-carbonitrile, 3-hydroxy-, (3α,17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 441.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 221.0±21.2 °C
Index of Refraction: 1.545
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1056.44
ACD/KOC (pH 5.5): 5082.38
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1056.44
ACD/KOC (pH 7.4): 5082.38
Polar Surface Area: 44 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 278.0±5.0 cm3

Click to predict properties on the Chemicalize site


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