ChemSpider 2D Image | (9xi,11beta,16alpha)-9,11-Dichloro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dibutanoate | C30H40Cl2O6

(9ξ,11β,16α)-9,11-Dichloro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dibutanoate

  • Molecular FormulaC30H40Cl2O6
  • Average mass567.541 Da
  • Monoisotopic mass566.220215 Da
  • ChemSpider ID30649264

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(9ξ,11β,16α)-9,11-Dichlor-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-dibutanoat [German] [ACD/IUPAC Name]
(9ξ,11β,16α)-9,11-Dichloro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dibutanoate [ACD/IUPAC Name]
Butanoic acid, (9ξ,11β,16α)-9,11-dichloro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl ester [ACD/Index Name]
Dibutanoate de (9ξ,11β,16α)-9,11-dichloro-16-méthyl-3,20-dioxoprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
9,11b-Dichloro-16a-methyl-17,21-bis(1-oxobutoxy)pregna-1,4-diene-3,20-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 183.5±30.5 °C
Index of Refraction: 1.552
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29473.03
ACD/KOC (pH 5.5): 55055.28
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29473.03
ACD/KOC (pH 7.4): 55055.28
Polar Surface Area: 87 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 456.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement