ChemSpider 2D Image | (6alpha,11beta)-9-Chloro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione | C22H29ClO3

(6α,11β)-9-Chloro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID21166658

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,11β)-9-Chlor-11-hydroxy-6-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6α,11β)-9-Chloro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6α,11β)-9-Chloro-11-hydroxy-6-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
301-992-0 [EINECS]
94087-96-4 [RN]
Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-6-methyl-, (6α,11β)- [ACD/Index Name]
9-chloro-11β-hydroxy-6α-methylpregna-1,4-diene-3,20-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 270.7±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.73
ACD/KOC (pH 5.5): 876.92
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.73
ACD/KOC (pH 7.4): 876.92
Polar Surface Area: 54 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 308.1±5.0 cm3

Click to predict properties on the Chemicalize site


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