ChemSpider 2D Image | N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycine | C29H39NO9

N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycine

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID17467880

  • 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-(acetyloxy)-3,20-dioxopregn-4-en-21-yl] ester [ACD/Index Name]
N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycin [German] [ACD/IUPAC Name]
N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}glycine [ACD/IUPAC Name]
N-{4-[(17-Acétoxy-3,20-dioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}glycine [French] [ACD/IUPAC Name]
1042371-16-3 [RN]
2-(4-(2-((8R,9S,10R,13S,14S,17R)-17-acetoxy-10,13-dimethyl-3-oxo-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-[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[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: 1.3±0.1 g/cm3
    Boiling Point: 754.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 119.7±6.0 kJ/mol
    Flash Point: 410.3±32.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 137.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.03
    ACD/LogD (pH 7.4): -1.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 153 Å2
    Polarizability: 54.4±0.5 10-24cm3
    Surface Tension: 56.7±5.0 dyne/cm
    Molar Volume: 421.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement