ChemSpider 2D Image | (8alpha,10alpha,13alpha,14beta,17alpha)-Pregna-4,6-diene-3,20-dione | C21H28O2

(8α,10α,13α,14β,17α)-Pregna-4,6-diene-3,20-dione

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID111312227

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,10α,13α,14β,17α)-Pregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,10α,13α,14β,17α)-Pregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(8α,10α,13α,14β,17α)-Prégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, (8α,10α,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 172.2±25.7 °C
Index of Refraction: 1.557
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.60
ACD/KOC (pH 5.5): 1491.82
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.60
ACD/KOC (pH 7.4): 1491.82
Polar Surface Area: 34 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 282.3±5.0 cm3

Click to predict properties on the Chemicalize site


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