ChemSpider 2D Image | (11beta,16alpha)-9,21-Dichloro-11,17-dihydroxy-16-methyl(4,6,6,21,21-~2~H_5_)pregna-1,4-diene-3,20-dione | C22H23D5Cl2O4

(11β,16α)-9,21-Dichloro-11,17-dihydroxy-16-methyl(4,6,6,21,21-2H5)pregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H23D5Cl2O4
  • Average mass432.392 Da
  • Monoisotopic mass431.167847 Da
  • ChemSpider ID58785311
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(11β,16α)-9,21-Dichlor-11,17-dihydroxy-16-methyl(4,6,6,21,21-2H5)pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,16α)-9,21-Dichloro-11,17-dihydroxy-16-methyl(4,6,6,21,21-2H5)pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,16α)-9,21-Dichloro-11,17-dihydroxy-16-méthyl(4,6,6,21,21-2H5)prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-4,6,6,21,21-d5, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11β,16α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.36
ACD/KOC (pH 5.5): 962.71
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.36
ACD/KOC (pH 7.4): 962.69
Polar Surface Area: 75 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 316.5±5.0 cm3

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