ChemSpider 2D Image | (16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate | C23H30O7

(16α)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate

  • Molecular FormulaC23H30O7
  • Average mass418.480 Da
  • Monoisotopic mass418.199158 Da
  • ChemSpider ID28290887

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(16α)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
(16α)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (16α)-11,16,17-trihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,16,17-trihydroxy-, (16α)- [ACD/Index Name]
(16?)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
(16????)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
[2-oxo-2-[(8S,9S,10R,13S,14S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate
[86401-80-1] [RN]
11β,16α,17α,21-Tetrahydroxylpregn-1,4diene-3,20-dione-21-acetate
16????-Hydroxyprednisonlone acetate
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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: 599.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 102.4±6.0 kJ/mol
    Flash Point: 204.9±23.6 °C
    Index of Refraction: 1.603
    Molar Refractivity: 106.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 9.48
    ACD/KOC (pH 5.5): 174.18
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 9.48
    ACD/KOC (pH 7.4): 174.17
    Polar Surface Area: 121 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 310.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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