ChemSpider 2D Image | (8xi,10xi,13xi,14xi,16alpha,17xi)-9,11-Dichloro-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H28Cl2O3

(8ξ,10ξ,13ξ,14ξ,16α,17ξ)-9,11-Dichloro-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H28Cl2O3
  • Average mass411.362 Da
  • Monoisotopic mass410.141541 Da
  • ChemSpider ID23115351

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(8ξ,10ξ,13ξ,14ξ,16α,17ξ)-9,11-Dichlor-21-hydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ,16α,17ξ)-9,11-Dichloro-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ,16α,17ξ)-9,11-Dichloro-21-hydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (8ξ,10ξ,13ξ,14ξ,16α,17ξ)- [ACD/Index Name]
9,11-Dichloro-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 487.32
ACD/KOC (pH 5.5): 2921.05
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 487.32
ACD/KOC (pH 7.4): 2921.04
Polar Surface Area: 54 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

Click to predict properties on the Chemicalize site


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