ChemSpider 2D Image | (8alpha,13alpha,17xi)-Pregn-4-ene-3,20-dione | C21H30O2

(8α,13α,17ξ)-Pregn-4-ene-3,20-dione

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID65009753

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(8α,13α,17ξ)-Pregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8α,13α,17ξ)-Pregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8α,13α,17ξ)-Prégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, (8α,13α,17ξ)- [ACD/Index Name]
(1S,2R,10R,11S,15R)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
(3aS,3bR,9aR,9bS,11aR)-1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
57-83-0 [RN]
MFCD31421424

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

Density: 1.1±0.1 g/cm3
Boiling Point: 447.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 166.7±25.7 °C
Index of Refraction: 1.542
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.57
ACD/KOC (pH 5.5): 2529.54
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.57
ACD/KOC (pH 7.4): 2529.54
Polar Surface Area: 34 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 289.0±5.0 cm3

Click to predict properties on the Chemicalize site


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