ChemSpider 2D Image | (8alpha,9beta,10xi,11alpha,13alpha,14beta,16alpha)-21-Chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H28ClFO4

(8α,9β,10ξ,11α,13α,14β,16α)-21-Chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H28ClFO4
  • Average mass410.907 Da
  • Monoisotopic mass410.166016 Da
  • ChemSpider ID111312198

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(8α,9β,10ξ,11α,13α,14β,16α)-21-Chlor-9-fluor-11,17-dihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,10ξ,11α,13α,14β,16α)-21-Chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,9β,10ξ,11α,13α,14β,16α)-21-Chloro-9-fluoro-11,17-dihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-methyl-, (8α,9β,10ξ,11α,13α,14β,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: 555.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 289.5±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.88
ACD/KOC (pH 5.5): 734.86
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.88
ACD/KOC (pH 7.4): 734.84
Polar Surface Area: 75 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 310.2±5.0 cm3

Click to predict properties on the Chemicalize site


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