ChemSpider 2D Image | 4-{[(6alpha,11beta)-11,17-Dihydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoic acid | C26H36O8

4-{[(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoic acid

  • Molecular FormulaC26H36O8
  • Average mass476.559 Da
  • Monoisotopic mass476.241028 Da
  • ChemSpider ID48063793

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4-{[(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(6α,11β)-11,17-dihydroxy-6-méthyl-3,20-dioxoprégn-4-én-21-yl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(6α,11β)-11,17-dihydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl] ester [ACD/Index Name]
119657-85-1 [RN]
4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
6&α
6|A-Methyl Hydrocortisone 21-Hemisuccinate
-Methyl Hydrocortisone 21-Hemisuccinate
PUBCHEM_71750377

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 685.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±6.0 kJ/mol
    Flash Point: 228.4±25.0 °C
    Index of Refraction: 1.581
    Molar Refractivity: 120.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 2.01
    ACD/KOC (pH 5.5): 25.56
    ACD/LogD (pH 7.4): -0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 138 Å2
    Polarizability: 47.8±0.5 10-24cm3
    Surface Tension: 60.0±5.0 dyne/cm
    Molar Volume: 362.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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