ChemSpider 2D Image | (10xi,11beta,13xi,16beta)-11-Chloro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ethyl carbonate | C25H33ClO6

(10ξ,11β,13ξ,16β)-11-Chloro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ethyl carbonate

  • Molecular FormulaC25H33ClO6
  • Average mass464.979 Da
  • Monoisotopic mass464.196564 Da
  • ChemSpider ID58816217

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(10ξ,11β,13ξ,16β)-11-Chlor-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-ethylcarbonat [German] [ACD/IUPAC Name]
(10ξ,11β,13ξ,16β)-11-Chloro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ethyl carbonate [ACD/IUPAC Name]
Carbonate de (10ξ,11β,13ξ,16β)-11-chloro-17-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle et d'éthyle [French] [ACD/IUPAC Name]
Carbonic acid, (10ξ,11β,13ξ,16β)-11-chloro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ethyl ester [ACD/Index Name]
173351-08-1 [RN]
PREGNA-1,4-DIENE-3,20-DIONE, 11-CHLORO-21-[(ETHOXYCARBONYL)OXY]-17-HYDROXY-16-METHYL-, (11SS,16SS)- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.3±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 368.83
ACD/KOC (pH 5.5): 2392.98
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 368.82
ACD/KOC (pH 7.4): 2392.94
Polar Surface Area: 90 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 365.4±5.0 cm3

Click to predict properties on the Chemicalize site


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