ChemSpider 2D Image | (8xi,14xi,16alpha)-17,21-Dihydroxy-16-(~2~H_3_)methylpregna-1,4,9(11)-triene-3,20-dione | C22H25D3O4

(8ξ,14ξ,16α)-17,21-Dihydroxy-16-(2H3)methylpregna-1,4,9(11)-triene-3,20-dione

  • Molecular FormulaC22H25D3O4
  • Average mass359.474 Da
  • Monoisotopic mass359.217590 Da
  • ChemSpider ID107449601

  • defined stereocentres - 4 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8ξ,14ξ,16α)-17,21-Dihydroxy-16-(2H3)methylpregna-1,4,9(11)-trien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,14ξ,16α)-17,21-Dihydroxy-16-(2H3)methylpregna-1,4,9(11)-triene-3,20-dione [ACD/IUPAC Name]
(8ξ,14ξ,16α)-17,21-Dihydroxy-16-(2H3)méthylprégna-1,4,9(11)-triène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4,9(11)-triene-3,20-dione, 17,21-dihydroxy-16-(methyl-d3)-, (8ξ,14ξ,16α)- [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: 548.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 299.4±26.6 °C
Index of Refraction: 1.603
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.85
ACD/KOC (pH 5.5): 918.85
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.84
ACD/KOC (pH 7.4): 918.84
Polar Surface Area: 75 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 286.1±5.0 cm3

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