ChemSpider 2D Image | (8alpha,10alpha,11alpha,13alpha,16alpha)-9,11-Dichloro-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H28Cl2O4

(8α,10α,11α,13α,16α)-9,11-Dichloro-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H28Cl2O4
  • Average mass427.361 Da
  • Monoisotopic mass426.136475 Da
  • ChemSpider ID62294704

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,10α,11α,13α,16α)-9,11-Dichlor-17,21-dihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,10α,11α,13α,16α)-9,11-Dichloro-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,10α,11α,13α,16α)-9,11-Dichloro-17,21-dihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
(8α,10α,11β,13α,14β,16α)-9,11-Dichlor-17,21-dihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,10α,11β,13α,14β,16α)-9,11-Dichloro-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,10α,11β,13α,14β,16α)-9,11-Dichloro-17,21-dihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-17,21-dihydroxy-16-methyl-, (8α,10α,11α,13α,16α)- [ACD/Index Name]
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-17,21-dihydroxy-16-methyl-, (8α,10α,11β,13α,14β,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: 588.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.4±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: 3.31
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.61
ACD/KOC (pH 5.5): 2203.14
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.60
ACD/KOC (pH 7.4): 2203.09
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

Click to predict properties on the Chemicalize site


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