ChemSpider 2D Image | (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate | C35H47NO9

(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate

  • Molecular FormulaC35H47NO9
  • Average mass625.749 Da
  • Monoisotopic mass625.325073 Da
  • ChemSpider ID17468203

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
4-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-4-oxobutanoate de (11β)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-4-oxo-, (11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutanoate
1029698-08-5 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 829.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 126.4±3.0 kJ/mol
    Flash Point: 455.7±34.3 °C
    Index of Refraction: 1.589
    Molar Refractivity: 164.9±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 195.90
    ACD/KOC (pH 5.5): 1521.42
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 195.90
    ACD/KOC (pH 7.4): 1521.40
    Polar Surface Area: 148 Å2
    Polarizability: 65.4±0.5 10-24cm3
    Surface Tension: 58.5±5.0 dyne/cm
    Molar Volume: 489.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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