ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,13alpha,14beta,17beta)-3,17-Dihydroxyandrostane-17-carbonitrile | C20H31NO2

(5β,8α,9β,10α,13α,14β,17β)-3,17-Dihydroxyandrostane-17-carbonitrile

  • Molecular FormulaC20H31NO2
  • Average mass317.466 Da
  • Monoisotopic mass317.235474 Da
  • ChemSpider ID113598388

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α,14β,17β)-3,17-Dihydroxyandrostan-17-carbonitril [German] [ACD/IUPAC Name]
(5β,8α,9β,10α,13α,14β,17β)-3,17-Dihydroxyandrostane-17-carbonitrile [ACD/IUPAC Name]
(5β,8α,9β,10α,13α,14β,17β)-3,17-Dihydroxyandrostane-17-carbonitrile [French] [ACD/IUPAC Name]
Androstane-17-carbonitrile, 3,17-dihydroxy-, (5β,8α,9β,10α,13α,14β,17β)- [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: 478.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 243.0±21.8 °C
Index of Refraction: 1.563
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.50
ACD/KOC (pH 5.5): 1289.57
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.47
ACD/KOC (pH 7.4): 1289.37
Polar Surface Area: 64 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 275.1±5.0 cm3

Click to predict properties on the Chemicalize site


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