ChemSpider 2D Image | (11beta,16beta)-9-Chloro-11-hydroxy-16-methyl-3,20,21-trioxopregna-1,4-dien-17-yl propionate | C25H31ClO6

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

  • Molecular FormulaC25H31ClO6
  • Average mass462.963 Da
  • Monoisotopic mass462.180908 Da
  • ChemSpider ID58780626

  • 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-3,20,21-trioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-3,20,21-trioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Pregna-1,4-dien-21-al, 9-chloro-11-hydroxy-16-methyl-3,20-dioxo-17-(1-oxopropoxy)-, (11β,16β)- [ACD/Index Name]
Propionate de (11β,16β)-9-chloro-11-hydroxy-16-méthyl-3,20,21-trioxoprégna-1,4-dién-17-yle [French] [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: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.14
ACD/KOC (pH 5.5): 900.37
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.13
ACD/KOC (pH 7.4): 900.37
Polar Surface Area: 98 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 356.2±5.0 cm3

Click to predict properties on the Chemicalize site


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