ChemSpider 2D Image | (8alpha,14xi,15S,17alpha)-17-Hydroxy-3-oxo(14,15-~3~H_2_)-19-norpregna-4,9-diene-21-nitrile | C20H23T2NO2

(8α,14ξ,15S,17α)-17-Hydroxy-3-oxo(14,15-3H2)-19-norpregna-4,9-diene-21-nitrile

  • Molecular FormulaC20H23T2NO2
  • Average mass315.434 Da
  • Monoisotopic mass315.204987 Da
  • ChemSpider ID9209583

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8α,14ξ,15S,17α)-17-Hydroxy-3-oxo(14,15-3H2)-19-norpregna-4,9-dien-21-nitril [German] [ACD/IUPAC Name]
(8α,14ξ,15S,17α)-17-Hydroxy-3-oxo(14,15-3H2)-19-norpregna-4,9-diene-21-nitrile [ACD/IUPAC Name]
(8α,14ξ,15S,17α)-17-Hydroxy-3-oxo(14,15-3H2)-19-norprégna-4,9-diène-21-nitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(8α,14ξ,15S,17β)-17-hydroxy-3-oxoestra-4,9-dien-17-yl-14,15-t2]- [ACD/Index Name]

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

Density:
Boiling Point: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 60.22
ACD/KOC (pH 5.5): 653.93
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 60.22
ACD/KOC (pH 7.4): 653.93
Polar Surface Area: 61 Å2
Polarizability:
Surface Tension:
Molar Volume:

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