ChemSpider 2D Image | (11beta)-9-Fluoro-11,17,21-trihydroxy(4,6,6-~2~H_3_)pregna-1,4-diene-3,20-dione | C21H24D3FO5

(11β)-9-Fluoro-11,17,21-trihydroxy(4,6,6-2H3)pregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H24D3FO5
  • Average mass381.453 Da
  • Monoisotopic mass381.203094 Da
  • ChemSpider ID58782915

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11β)-9-Fluor-11,17,21-trihydroxy(4,6,6-2H3)pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β)-9-Fluoro-11,17,21-trihydroxy(4,6,6-2H3)pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β)-9-Fluoro-11,17,21-trihydroxy(4,6,6-2H3)prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-4,6,6-d3, 9-fluoro-11,17,21-trihydroxy-, (11β)- [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: 566.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.43
ACD/KOC (pH 5.5): 173.41
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.43
ACD/KOC (pH 7.4): 173.41
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 279.4±5.0 cm3

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