ChemSpider 2D Image | (8xi,13xi,14xi)-17-Methyl-19-norpregna-4,9-diene-3,20-dione | C21H28O2

(8ξ,13ξ,14ξ)-17-Methyl-19-norpregna-4,9-diene-3,20-dione

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID23115362

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(8ξ,13ξ,14ξ)-17-Methyl-19-norpregna-4,9-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,13ξ,14ξ)-17-Methyl-19-norpregna-4,9-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,13ξ,14ξ)-17-Méthyl-19-norprégna-4,9-diène-3,20-dione [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-acetyl-17-methyl-, (17β)- [ACD/Index Name]
(S)-17-Acetyl-13,17-dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
17-Acetyl-13,17-dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 475.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 176.6±25.7 °C
Index of Refraction: 1.558
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.68
ACD/KOC (pH 5.5): 3245.94
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 564.68
ACD/KOC (pH 7.4): 3245.94
Polar Surface Area: 34 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 280.8±5.0 cm3

Click to predict properties on the Chemicalize site


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