ChemSpider 2D Image | (6alpha,8xi,10xi,13xi,14xi)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione | C22H29FO4

(6α,8ξ,10ξ,13ξ,14ξ)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H29FO4
  • Average mass376.462 Da
  • Monoisotopic mass376.204987 Da
  • ChemSpider ID22889275

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(6α,8ξ,10ξ,13ξ,14ξ)-9-Fluor-11,17-dihydroxy-6-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6α,8ξ,10ξ,13ξ,14ξ)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6α,8ξ,10ξ,13ξ,14ξ)-9-Fluoro-11,17-dihydroxy-6-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6α,8ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]
(8S,1R,14R)-14-acetyl-1-fluoro-14,17-dihydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-3,6-diene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 272.6±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.97
ACD/KOC (pH 5.5): 513.63
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.97
ACD/KOC (pH 7.4): 513.62
Polar Surface Area: 75 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 298.9±5.0 cm3

Click to predict properties on the Chemicalize site


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