ChemSpider 2D Image | (6beta,9beta,11beta,14beta,16beta)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al | C22H26ClFO4

(6β,9β,11β,14β,16β)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al

  • Molecular FormulaC22H26ClFO4
  • Average mass408.891 Da
  • Monoisotopic mass408.150360 Da
  • ChemSpider ID77499256

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6β,9β,11β,14β,16β)-9-Chlor-6-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [German] [ACD/IUPAC Name]
(6β,9β,11β,14β,16β)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [ACD/IUPAC Name]
(6β,9β,11β,14β,16β)-9-Chloro-6-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-al [French] [ACD/IUPAC Name]
Pregna-1,4-dien-21-al, 9-chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, (6β,9β,11β,14β,16β)- [ACD/Index 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: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.84
ACD/KOC (pH 5.5): 486.58
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.84
ACD/KOC (pH 7.4): 486.58
Polar Surface Area: 71 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 310.7±5.0 cm3

Click to predict properties on the Chemicalize site


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