ChemSpider 2D Image | Prednisolone 21-acetate | C23H30O6

Prednisolone 21-acetate

  • Molecular FormulaC23H30O6
  • Average mass402.481 Da
  • Monoisotopic mass402.204254 Da
  • ChemSpider ID18514019

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
52-21-1 [RN]
Acétate de 11,17-dihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Prednisolone 21-acetate
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy- [ACD/Index Name]
[2-[(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-((8S,9S,10R,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
21-(acetyloxy)-11,17-dihydroxy-pregna-1,4-diene-3,20-dione
412909-14-9 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 579.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 99.6±6.0 kJ/mol
    Flash Point: 198.4±23.6 °C
    Index of Refraction: 1.587
    Molar Refractivity: 105.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.45
    ACD/KOC (pH 5.5): 438.49
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.45
    ACD/KOC (pH 7.4): 438.48
    Polar Surface Area: 101 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 312.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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