ChemSpider 2D Image | (8xi,11beta,14xi)-9,21-Dichloro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ethyl carbonate | C24H30Cl2O6

(8ξ,11β,14ξ)-9,21-Dichloro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ethyl carbonate

  • Molecular FormulaC24H30Cl2O6
  • Average mass485.397 Da
  • Monoisotopic mass484.141937 Da
  • ChemSpider ID110449941

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(8ξ,11β,14ξ)-9,21-Dichlor-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl-ethylcarbonat [German] [ACD/IUPAC Name]
(8ξ,11β,14ξ)-9,21-Dichloro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ethyl carbonate [ACD/IUPAC Name]
Carbonate de (8ξ,11β,14ξ)-9,21-dichloro-11-hydroxy-3,20-dioxoprégna-1,4-dién-17-yle et d'éthyle [French] [ACD/IUPAC Name]
Carbonic acid, (8ξ,11β,14ξ)-9,21-dichloro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ethyl ester [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: 636.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 338.5±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.37
ACD/KOC (pH 5.5): 1216.76
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.37
ACD/KOC (pH 7.4): 1216.76
Polar Surface Area: 90 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 359.7±5.0 cm3

Click to predict properties on the Chemicalize site


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