ChemSpider 2D Image | N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycine | C27H35NO9

N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycine

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID17468488

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Butanoic acid, 4-[(carboxymethyl)amino]-4-oxo-, 1-(17-hydroxy-3,11,20-trioxopregn-4-en-21-yl) ester [ACD/Index Name]
N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycin [German] [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycine [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,11,20-trioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}glycine [French] [ACD/IUPAC Name]
1029698-57-4 [RN]
2-(4-(2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy)-4-oxobutanamido)acetic acid
2-[[4-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]amino]acetic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 801.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.4 mmHg at 25°C
    Enthalpy of Vaporization: 132.7±6.0 kJ/mol
    Flash Point: 438.3±34.3 °C
    Index of Refraction: 1.585
    Molar Refractivity: 127.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -1.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 164 Å2
    Polarizability: 50.6±0.5 10-24cm3
    Surface Tension: 63.2±5.0 dyne/cm
    Molar Volume: 380.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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