ChemSpider 2D Image | (1alpha)-6-Chloro-1-(chloromethyl)-17-hydroxypregna-4,6-diene-3,20-dione | C22H28Cl2O3

(1α)-6-Chloro-1-(chloromethyl)-17-hydroxypregna-4,6-diene-3,20-dione

  • Molecular FormulaC22H28Cl2O3
  • Average mass411.362 Da
  • Monoisotopic mass410.141541 Da
  • ChemSpider ID128919078

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1α)-6-Chlor-1-(chlormethyl)-17-hydroxypregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(1α)-6-Chloro-1-(chloromethyl)-17-hydroxypregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(1α)-6-Chloro-1-(chlorométhyl)-17-hydroxyprégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 6-chloro-1-(chloromethyl)-17-hydroxy-, (1α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 286.2±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.09
ACD/KOC (pH 5.5): 2842.42
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.09
ACD/KOC (pH 7.4): 2842.41
Polar Surface Area: 54 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

Click to predict properties on the Chemicalize site


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