Found 347 results

Search term: MF = 'C_{31}H_{38}N_{2}O_{7}'
ChemSpider 2D Image | 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-oxo-4-[(4-pyridinylmethyl)amino]butanoate | C31H38N2O7

17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-oxo-4-[(4-pyridinylmethyl)amino]butanoate

  • Molecular FormulaC31H38N2O7
  • Average mass550.643 Da
  • Monoisotopic mass550.267883 Da
  • ChemSpider ID17468656

  • 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-trioxopregn-4-en-21-yl 4-oxo-4-[(4-pyridinylmethyl)amino]butanoate [ACD/IUPAC Name]
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl-4-oxo-4-[(4-pyridinylmethyl)amino]butanoat [German] [ACD/IUPAC Name]
4-Oxo-4-[(4-pyridinylméthyl)amino]butanoate de 17-hydroxy-3,11,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[(4-pyridinylmethyl)amino]-, 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl ester [ACD/Index Name]
[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-oxoethyl] 4-oxo-4-(pyridin-4-ylmethylamino)butanoate
1040387-44-7 [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: 799.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 121.8±3.0 kJ/mol
    Flash Point: 437.0±32.9 °C
    Index of Refraction: 1.598
    Molar Refractivity: 143.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 1.95
    ACD/BCF (pH 5.5): 16.36
    ACD/KOC (pH 5.5): 230.94
    ACD/LogD (pH 7.4): 2.12
    ACD/BCF (pH 7.4): 23.80
    ACD/KOC (pH 7.4): 335.95
    Polar Surface Area: 140 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 61.4±5.0 dyne/cm
    Molar Volume: 422.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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