Found 6 results

Search term: MF = 'C_{21}H_{24}D_{4}O_{5}'
ChemSpider 2D Image | (8xi,11beta)-11,17,21-Trihydroxy(9,11,12,12-~2~H_4_)pregna-1,4-diene-3,20-dione | C21H24D4O5

(8ξ,11β)-11,17,21-Trihydroxy(9,11,12,12-2H4)pregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H24D4O5
  • Average mass364.469 Da
  • Monoisotopic mass364.218781 Da
  • ChemSpider ID58785464

  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8ξ,11β)-11,17,21-Trihydroxy(9,11,12,12-2H4)pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,11β)-11,17,21-Trihydroxy(9,11,12,12-2H4)pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,11β)-11,17,21-Trihydroxy(9,11,12,12-2H4)prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-9,11,12,12-d4, 11,17,21-trihydroxy-, (8ξ,11β)- [ACD/Index Name]
50-24-8 [RN]
prednisolone [BAN] [INN] [JAN] [JP15] [USP] [Wiki]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 570.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.3±6.0 kJ/mol
    Flash Point: 313.0±26.6 °C
    Index of Refraction: 1.612
    Molar Refractivity: 95.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): 1.66
    ACD/BCF (pH 5.5): 10.76
    ACD/KOC (pH 5.5): 190.60
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 10.76
    ACD/KOC (pH 7.4): 190.60
    Polar Surface Area: 95 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 60.7±5.0 dyne/cm
    Molar Volume: 274.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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