ChemSpider 2D Image | (14beta,17alpha)-17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione | C21H28O3

(14β,17α)-17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID114815255

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(14β,17α)-17-Hydroxy-6-methyl-19-norpregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(14β,17α)-17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(14β,17α)-17-Hydroxy-6-méthyl-19-norprégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
Estra-4,6-dien-3-one, 17-acetyl-17-hydroxy-6-methyl-, (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: 502.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 271.8±26.6 °C
Index of Refraction: 1.574
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.83
ACD/KOC (pH 5.5): 1402.42
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.83
ACD/KOC (pH 7.4): 1402.41
Polar Surface Area: 54 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 279.5±5.0 cm3

Click to predict properties on the Chemicalize site


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