ChemSpider 2D Image | (9beta,11beta,16beta)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione | C21H27FO6

(9β,11β,16β)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H27FO6
  • Average mass394.434 Da
  • Monoisotopic mass394.179169 Da
  • ChemSpider ID62419522

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(10α,11α,14β,16α,17α)-9-Fluor-11,16,17,21-tetrahydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(10α,11α,14β,16α,17α)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(10α,11α,14β,16α,17α)-9-Fluoro-11,16,17,21-tétrahydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
(9β,11β,16β)-9-Fluor-11,16,17,21-tetrahydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(9β,11β,16β)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(9β,11β,16β)-9-Fluoro-11,16,17,21-tétrahydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (10α,11α,14β,16α,17α)- [ACD/Index Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (9β,11β,16β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 75.01
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 75.00
Polar Surface Area: 115 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 277.4±5.0 cm3

Click to predict properties on the Chemicalize site


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