ChemSpider 2D Image | (17beta)-17-Acetyl-17-hydroxyestr-4-en-3-one | C20H28O3

(17β)-17-Acetyl-17-hydroxyestr-4-en-3-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID21429077

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17α)-17-Hydroxy-19-norpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-19-norpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(17α)-17-Hydroxy-19-norprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
(17β)-17-Acetyl-17-hydroxyestr-4-en-3-one
(1S,3aS,3bR,9aR,9bS,11aS)-1-acetyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
(8R,9S,10R,13S,14S,17S)-17-Acetyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
16895-64-0 [RN]
Estr-4-en-3-one, 17-acetyl-17-hydroxy-, (17β)- [ACD/Index Name]
17a-Hydroxy-19-norpregn-4-ene-3,20-dione
17-Hydroxy-19-nor-17a-pregn-4-ene-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: 484.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 261.2±25.2 °C
Index of Refraction: 1.564
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.21
ACD/KOC (pH 5.5): 817.17
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.21
ACD/KOC (pH 7.4): 817.17
Polar Surface Area: 54 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 270.1±5.0 cm3

Click to predict properties on the Chemicalize site


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