ChemSpider 2D Image | Ethyl (8xi,11beta,14xi)-9,11,21-trichloro-3,20-dioxopregna-1,4-dien-17-yl carbonate | C24H29Cl3O5

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

  • Molecular FormulaC24H29Cl3O5
  • Average mass503.843 Da
  • Monoisotopic mass502.108063 Da
  • ChemSpider ID110449939

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

Carbonate d'éthyle et de (8ξ,11β,14ξ)-9,11,21-trichloro-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Carbonic acid, ethyl (8ξ,11β,14ξ)-9,11,21-trichloro-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Ethyl (8ξ,11β,14ξ)-9,11,21-trichloro-3,20-dioxopregna-1,4-dien-17-yl carbonate [ACD/IUPAC Name]
Ethyl-(8ξ,11β,14ξ)-9,11,21-trichlor-3,20-dioxopregna-1,4-dien-17-ylcarbonat [German] [ACD/IUPAC 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: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 207.2±30.5 °C
Index of Refraction: 1.572
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1846.73
ACD/KOC (pH 5.5): 7580.35
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1846.73
ACD/KOC (pH 7.4): 7580.35
Polar Surface Area: 70 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

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