ChemSpider 2D Image | (11beta,16beta)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxo-17-(2-oxobutyl)pregna-1,4-dien-21-yl propionate | C29H39ClO6

(11β,16β)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxo-17-(2-oxobutyl)pregna-1,4-dien-21-yl propionate

  • Molecular FormulaC29H39ClO6
  • Average mass519.069 Da
  • Monoisotopic mass518.243530 Da
  • ChemSpider ID98643256

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16β)-9-Chlor-11-hydroxy-16-methyl-3,20-dioxo-17-(2-oxobutyl)pregna-1,4-dien-21-ylpropionat [German] [ACD/IUPAC Name]
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxo-17-(2-oxobutyl)pregna-1,4-dien-21-yl propionate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17-(2-oxobutyl)-21-(1-oxopropoxy)-, (11β,16β)- [ACD/Index Name]
Propionate de (11β,16β)-9-chloro-11-hydroxy-16-méthyl-3,20-dioxo-17-(2-oxobutyl)prégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.66
ACD/KOC (pH 5.5): 2973.84
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.66
ACD/KOC (pH 7.4): 2973.83
Polar Surface Area: 98 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 420.4±5.0 cm3

Click to predict properties on the Chemicalize site


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