ChemSpider 2D Image | (8alpha,11beta,13alpha,16alpha)-9,21-Dichloro-11,17-dihydroxy-16-methyl-18-norpregna-1,4-diene-3,20-dione | C21H26Cl2O4

(8α,11β,13α,16α)-9,21-Dichloro-11,17-dihydroxy-16-methyl-18-norpregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H26Cl2O4
  • Average mass413.335 Da
  • Monoisotopic mass412.120819 Da
  • ChemSpider ID62605654

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,11β,13α,16α)-9,21-Dichlor-11,17-dihydroxy-16-methyl-18-norpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,11β,13α,16α)-9,21-Dichloro-11,17-dihydroxy-16-methyl-18-norpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,11β,13α,16α)-9,21-Dichloro-11,17-dihydroxy-16-méthyl-18-norprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
(9β,11α,13α,14β,16α,17α)-9,21-Dichlor-11,17-dihydroxy-16-methyl-18-norpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(9β,11α,13α,14β,16α,17α)-9,21-Dichloro-11,17-dihydroxy-16-methyl-18-norpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(9β,11α,13α,14β,16α,17α)-9,21-Dichloro-11,17-dihydroxy-16-méthyl-18-norprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Gona-1,4-dien-3-one, 9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,16-dimethyl-, (8α,10α,11β,16β,17β)- [ACD/Index Name]
Gona-1,4-dien-3-one, 9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,16-dimethyl-, (8α,11β,13α,16α,17α)- [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: 591.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.24
ACD/KOC (pH 5.5): 606.76
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.24
ACD/KOC (pH 7.4): 606.75
Polar Surface Area: 75 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 300.6±5.0 cm3

Click to predict properties on the Chemicalize site


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