ChemSpider 2D Image | (9beta,11beta,14beta,16beta,17alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al | C22H27FO5

(9β,11β,14β,16β,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al

  • Molecular FormulaC22H27FO5
  • Average mass390.445 Da
  • Monoisotopic mass390.184265 Da
  • ChemSpider ID107563370

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(9β,11β,14β,16β,17α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [German] [ACD/IUPAC Name]
(9β,11β,14β,16β,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [ACD/IUPAC Name]
(9β,11β,14β,16β,17α)-9-Fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-al [French] [ACD/IUPAC Name]
Pregna-1,4-dien-21-al, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-, (9β,11β,14β,16β,17α)- [ACD/Index Name]
21-dehydro βmethasone
61558-12-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.36
ACD/KOC (pH 5.5): 222.60
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.36
ACD/KOC (pH 7.4): 222.59
Polar Surface Area: 92 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 295.9±5.0 cm3

Click to predict properties on the Chemicalize site


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