ChemSpider 2D Image | 17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl 4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutanoate | C29H33NO10

17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl 4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutanoate

  • Molecular FormulaC29H33NO10
  • Average mass555.573 Da
  • Monoisotopic mass555.210449 Da
  • ChemSpider ID17467922

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl 4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutanoate [ACD/IUPAC Name]
17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-4-oxobutanoate de 17-hydroxy-3,11,20-trioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-, 17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
1262630-59-0 [RN]
2,5-dioxopyrrolidin-1-yl (2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl) succinate
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanedioate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 740.8±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 123.3±6.0 kJ/mol
    Flash Point: 401.8±35.7 °C
    Index of Refraction: 1.607
    Molar Refractivity: 135.4±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 8.51
    ACD/KOC (pH 5.5): 161.18
    ACD/LogD (pH 7.4): 1.53
    ACD/BCF (pH 7.4): 8.51
    ACD/KOC (pH 7.4): 161.18
    Polar Surface Area: 161 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 66.5±5.0 dyne/cm
    Molar Volume: 391.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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