ChemSpider 2D Image | (9xi,11beta,16alpha)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate | C28H37FO7

(9ξ,11β,16α)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate

  • Molecular FormulaC28H37FO7
  • Average mass504.588 Da
  • Monoisotopic mass504.252319 Da
  • ChemSpider ID59718464

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(9ξ,11β,16α)-9-Fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(9ξ,11β,16α)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
Dipropanoate de (9ξ,11β,16α)-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (9ξ,11β,16α)- [ACD/Index Name]
55541-30-5 [RN]
9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 17,21-di(propionate)
MFCD00866037

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 389.01
ACD/KOC (pH 5.5): 2485.98
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 389.01
ACD/KOC (pH 7.4): 2485.97
Polar Surface Area: 107 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

Click to predict properties on the Chemicalize site


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