ChemSpider 2D Image | (8xi,10xi,13xi,14xi,17xi)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H29ClO5

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

  • Molecular FormulaC22H29ClO5
  • Average mass408.916 Da
  • Monoisotopic mass408.170349 Da
  • ChemSpider ID24997202

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(8ξ,10ξ,13ξ,14ξ,17ξ)-9-Chlor-11,17,21-trihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ,17ξ)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ,17ξ)-9-Chloro-11,17,21-trihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (8ξ,10ξ,13ξ,14ξ,17ξ)- [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: 600.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.10
ACD/KOC (pH 5.5): 398.05
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.10
ACD/KOC (pH 7.4): 398.04
Polar Surface Area: 95 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 302.6±5.0 cm3

Click to predict properties on the Chemicalize site


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