ChemSpider 2D Image | (11beta)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3,20-dioxopregn-4-en-21-yl propionate | C27H38O8

(11β)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3,20-dioxopregn-4-en-21-yl propionate

  • Molecular FormulaC27H38O8
  • Average mass490.586 Da
  • Monoisotopic mass490.256653 Da
  • ChemSpider ID57261512

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3,20-dioxopregn-4-en-21-yl propionate [ACD/IUPAC Name]
(11β)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3,20-dioxopregn-4-en-21-ylpropionat [German] [ACD/IUPAC Name]
Carbonic acid, ethyl (11β)-11-hydroxy-3,20-dioxo-21-(1-oxopropoxy)pregn-4-en-17-yl ester [ACD/Index Name]
Propionate de (11β)-17-[(éthoxycarbonyl)oxy]-11-hydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
1,2-Dihydro Prednicarbate
671225-26-6 [RN]
MFCD22683712

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 638.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.0±6.0 kJ/mol
    Flash Point: 207.6±25.0 °C
    Index of Refraction: 1.549
    Molar Refractivity: 125.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 3.46
    ACD/BCF (pH 5.5): 250.36
    ACD/KOC (pH 5.5): 1813.44
    ACD/LogD (pH 7.4): 3.46
    ACD/BCF (pH 7.4): 250.36
    ACD/KOC (pH 7.4): 1813.44
    Polar Surface Area: 116 Å2
    Polarizability: 49.8±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 395.2±5.0 cm3

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