ChemSpider 2D Image | (11beta,14xi,16beta)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxo-17-(propionyloxy)pregna-1,4-dien-21-yl (~2~H_5_)propanoate | C28H32D5FO7

(11β,14ξ,16β)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxo-17-(propionyloxy)pregna-1,4-dien-21-yl (2H5)propanoate

  • Molecular FormulaC28H32D5FO7
  • Average mass509.618 Da
  • Monoisotopic mass509.283722 Da
  • ChemSpider ID58777331
  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2H5)Propanoate de (11β,14ξ,16β)-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxo-17-(propionyloxy)prégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
(11β,14ξ,16β)-9-Fluor-11-hydroxy-16-methyl-3,20-dioxo-17-(propionyloxy)pregna-1,4-dien-21-yl-(2H5)propanoat [German] [ACD/IUPAC Name]
(11β,14ξ,16β)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxo-17-(propionyloxy)pregna-1,4-dien-21-yl (2H5)propanoate [ACD/IUPAC Name]
Propanoic-d5 acid, (11β,14ξ,16β)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxo-17-(1-oxopropoxy)pregna-1,4-dien-21-yl ester [ACD/Index Name]
1332-09-8 [RN]
pumice
pumice stone, granular (approx. 1-5 mm)
pumice, powder, technical

    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

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