ChemSpider 2D Image | (5?)-4,5-dihydroprednisone | C21H28O5

(5?)-4,5-dihydroprednisone

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID31046156

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5?)-4,5-dihydroprednisone
(5α)-17,21-Dihydroxypregn-1-en-3,11,20-trion [German] [ACD/IUPAC Name]
(5α)-17,21-Dihydroxypregn-1-ene-3,11,20-trione [ACD/IUPAC Name]
(5α)-17,21-Dihydroxyprégn-1-ène-3,11,20-trione [French] [ACD/IUPAC Name]
103881-93-2 [RN]
Pregn-1-ene-3,11,20-trione, 17,21-dihydroxy-, (5α)- [ACD/Index Name]
(5S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
4,5-Dihydro Prednisone
4,5-Dihydroprednisone, (5α)-
4,5-DIHYDROPREDNISONE, (5α)-

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

46ZUX92IMF [DBID]
UNII:46ZUX92IMF [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 554.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.1±6.0 kJ/mol
    Flash Point: 303.3±26.6 °C
    Index of Refraction: 1.574
    Molar Refractivity: 93.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 7.05
    ACD/KOC (pH 5.5): 140.90
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 7.05
    ACD/KOC (pH 7.4): 140.90
    Polar Surface Area: 92 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 284.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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