ChemSpider 2D Image | (8alpha,10alpha,13alpha,14xi,17alpha)-17,21-Dihydroxypregna-4,9(11)-diene-3,20-dione | C21H28O4

(8α,10α,13α,14ξ,17α)-17,21-Dihydroxypregna-4,9(11)-diene-3,20-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID113598775

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(8α,10α,13α,14ξ,17α)-17,21-Dihydroxypregna-4,9(11)-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,10α,13α,14ξ,17α)-17,21-Dihydroxypregna-4,9(11)-diene-3,20-dione [ACD/IUPAC Name]
(8α,10α,13α,14ξ,17α)-17,21-Dihydroxyprégna-4,9(11)-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-4,9(11)-diene-3,20-dione, 17,21-dihydroxy-, (8α,10α,13α,14ξ,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 294.7±26.6 °C
Index of Refraction: 1.595
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.11
ACD/KOC (pH 5.5): 660.87
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.11
ACD/KOC (pH 7.4): 660.86
Polar Surface Area: 75 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 276.0±5.0 cm3

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