ChemSpider 2D Image | (16alpha)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione | C22H28O5

(16α)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione

  • Molecular FormulaC22H28O5
  • Average mass372.455 Da
  • Monoisotopic mass372.193665 Da
  • ChemSpider ID48063904

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(16α)-17,21-Dihydroxy-16-methylpregna-1,4-dien-3,11,20-trion [German] [ACD/IUPAC Name]
(16α)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione [ACD/IUPAC Name]
(16α)-17,21-Dihydroxy-16-méthylprégna-1,4-diène-3,11,20-trione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16α)- [ACD/Index Name]
(8S,9S,10R,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
16??-Methyl-11-oxo Prednisolone
2036-77-3 [RN]
missing

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 574.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.8±6.0 kJ/mol
    Flash Point: 315.2±26.6 °C
    Index of Refraction: 1.595
    Molar Refractivity: 98.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 17.30
    ACD/KOC (pH 5.5): 267.77
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.30
    ACD/KOC (pH 7.4): 267.76
    Polar Surface Area: 92 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 290.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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