ChemSpider 2D Image | 16alpha-Hydroxyprednisolone | C21H28O6

16α-Hydroxyprednisolone

  • Molecular FormulaC21H28O6
  • Average mass376.443 Da
  • Monoisotopic mass376.188599 Da
  • ChemSpider ID18523646

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(16α)-11,16,17,21-Tetrahydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(16α)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(16α)-11,16,17,21-Tétrahydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
16α-Hydroxyprednisolone
Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (16α)- [ACD/Index Name]
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
(8S,9S,10R,13S,14S,16R,17S)-11,16,17-TRIHYDROXY-17-(2-HYDROXYACETYL)-10,13-DIMETHYL-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
(8S,9S,10R,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
11??,16??,17??,21-Tetrahydroxypregna-1,4-diene-3,20-dione
11a,16b,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 591.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.3±6.0 kJ/mol
    Flash Point: 325.6±26.6 °C
    Index of Refraction: 1.630
    Molar Refractivity: 97.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): 0.94
    ACD/BCF (pH 5.5): 3.04
    ACD/KOC (pH 5.5): 77.10
    ACD/LogD (pH 7.4): 0.94
    ACD/BCF (pH 7.4): 3.04
    ACD/KOC (pH 7.4): 77.09
    Polar Surface Area: 115 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 67.6±5.0 dyne/cm
    Molar Volume: 272.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement