ChemSpider 2D Image | (5beta,11beta)-11,17-Dihydroxy-3,20-dioxopregnan-21-yl acetate | C23H34O6

(5β,11β)-11,17-Dihydroxy-3,20-dioxopregnan-21-yl acetate

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID48063801

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5β,11β)-11,17-Dihydroxy-3,20-dioxopregnan-21-yl acetate [ACD/IUPAC Name]
(5β,11β)-11,17-Dihydroxy-3,20-dioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,11β)-11,17-dihydroxy-3,20-dioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (5β,11β)- [ACD/Index Name]
[2-[(5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-((5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
5??-Dihydrocortisol 21-acetate
5β-Dihydrocortisol 21-Acetate
5β-dihydrocortisol 21-acetate
5β-DIHYDROCORTISOL 21-ACETATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 557.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.4±6.0 kJ/mol
    Flash Point: 187.4±23.6 °C
    Index of Refraction: 1.549
    Molar Refractivity: 105.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.06
    ACD/KOC (pH 5.5): 461.99
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.06
    ACD/KOC (pH 7.4): 461.98
    Polar Surface Area: 101 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 330.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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