ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17,21-trihydroxy-16-methyl(6-~2~H_1_)pregna-1,4-diene-3,20-dione | C22H28DFO5

(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methyl(6-2H1)pregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H28DFO5
  • Average mass393.467 Da
  • Monoisotopic mass393.206177 Da
  • ChemSpider ID57268611

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11β,16α)-9-Fluor-11,17,21-trihydroxy-16-methyl(6-2H1)pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methyl(6-2H1)pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-méthyl(6-2H1)prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-6-d, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)- [ACD/Index Name]
DEXAMETHASONE-D4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.85
ACD/KOC (pH 5.5): 262.77
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.85
ACD/KOC (pH 7.4): 262.76
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 296.2±5.0 cm3

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