ChemSpider 2D Image | (6alpha,8alpha,11beta,16beta)-21-Chloro-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate | C25H31ClF2O5

(6α,8α,11β,16β)-21-Chloro-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate

  • Molecular FormulaC25H31ClF2O5
  • Average mass484.960 Da
  • Monoisotopic mass484.182800 Da
  • ChemSpider ID62336266

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,8α,11β,16β)-21-Chlor-6,9-difluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(6α,8α,11β,16β)-21-Chloro-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (6α,8α,11β,16β)- [ACD/Index Name]
Propionate de (6α,8α,11β,16β)-21-chloro-6,9-difluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-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: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.29
ACD/KOC (pH 5.5): 1556.77
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.29
ACD/KOC (pH 7.4): 1556.76
Polar Surface Area: 81 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 369.6±5.0 cm3

Click to predict properties on the Chemicalize site


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