ChemSpider 2D Image | (16alpha)-16-Ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione | C22H30O3

(16α)-16-Ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione

  • Molecular FormulaC22H30O3
  • Average mass342.472 Da
  • Monoisotopic mass342.219482 Da
  • ChemSpider ID21168394

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(16α)-16-Ethyl-21-hydroxy-19-norpregna-4,9-dien-3,20-dion [German] [ACD/IUPAC Name]
(16α)-16-Ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione [ACD/IUPAC Name]
(16α)-16-Éthyl-21-hydroxy-19-norprégna-4,9-diène-3,20-dione [French] [ACD/IUPAC Name]
276-357-3 [EINECS]
72137-42-9 [RN]
Estra-4,9-dien-3-one, 16-ethyl-17-(2-hydroxyacetyl)-, (16α,17β)- [ACD/Index Name]
16α-ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 290.2±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 346.02
ACD/KOC (pH 5.5): 2286.07
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 346.02
ACD/KOC (pH 7.4): 2286.07
Polar Surface Area: 54 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 295.1±5.0 cm3

Click to predict properties on the Chemicalize site


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