ChemSpider 2D Image | 16,17-Epoxypregn-4-ene-3,20-dione | C21H28O3

16,17-Epoxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID21254020

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

16,17-Epoxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
16,17-Epoxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
16,17-Époxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 16,17-epoxy- [ACD/Index Name]
1097-51-4 [RN]
16,17-Epoxyprogesterone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 204.4±28.8 °C
Index of Refraction: 1.569
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.37
ACD/KOC (pH 5.5): 1002.41
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.37
ACD/KOC (pH 7.4): 1002.41
Polar Surface Area: 47 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

Click to predict properties on the Chemicalize site


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