ChemSpider 2D Image | (3beta,11beta,16alpha)-9-Fluoro-3,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-20-one | C22H31FO5

(3β,11β,16α)-9-Fluoro-3,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-20-one

  • Molecular FormulaC22H31FO5
  • Average mass394.477 Da
  • Monoisotopic mass394.215546 Da
  • ChemSpider ID62297046

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,8α,11β,16β)-9-Fluor-3,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-20-on [German] [ACD/IUPAC Name]
(3α,8α,11β,16β)-9-Fluoro-3,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-20-one [ACD/IUPAC Name]
(3α,8α,11β,16β)-9-Fluoro-3,11,17,21-tétrahydroxy-16-méthylprégna-1,4-dién-20-one [French] [ACD/IUPAC Name]
(3β,11β,16α)-9-Fluor-3,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-20-on [German] [ACD/IUPAC Name]
(3β,11β,16α)-9-Fluoro-3,11,17,21-tetrahydroxy-16-methylpregna-1,4-dien-20-one [ACD/IUPAC Name]
(3β,11β,16α)-9-Fluoro-3,11,17,21-tétrahydroxy-16-méthylprégna-1,4-dién-20-one [French] [ACD/IUPAC Name]
Pregna-1,4-dien-20-one, 9-fluoro-3,11,17,21-tetrahydroxy-16-methyl-, (3α,8α,11β,16β)- [ACD/Index Name]
Pregna-1,4-dien-20-one, 9-fluoro-3,11,17,21-tetrahydroxy-16-methyl-, (3β,11β,16α)- [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: 569.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 298.1±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 144.48
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 144.47
Polar Surface Area: 98 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 297.3±5.0 cm3

Click to predict properties on the Chemicalize site


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