ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-~2~H_5_)pregna-1,4-diene-3,20-dione | C22H24D5FO5

(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-2H5)pregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H24D5FO5
  • Average mass397.492 Da
  • Monoisotopic mass397.231293 Da
  • ChemSpider ID48063663

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11β,16α)-9-Fluor-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-2H5)pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-2H5)pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-méthyl(4,6,6,21,21-2H5)prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-4,6,6,21,21-d5, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)- [ACD/Index Name]
(8S,9R,10S,11S,13S,14S,16R,17R)-4,6,6-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-3-one
358731-91-6 [RN]
50-02-2 [RN]
Dexamethasone [BAN] [INN] [JAN] [JP15] [USP] [Wiki]
dexamethasone labeled d5 (contains distribution of isotopes upto d2)
Dexamethasone-d5
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 568.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±6.0 kJ/mol
    Flash Point: 297.5±30.1 °C
    Index of Refraction: 1.592
    Molar Refractivity: 100.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 1.92
    ACD/BCF (pH 5.5): 16.85
    ACD/KOC (pH 5.5): 262.77
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 16.85
    ACD/KOC (pH 7.4): 262.76
    Polar Surface Area: 95 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 56.6±5.0 dyne/cm
    Molar Volume: 296.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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