ChemSpider 2D Image | 3-[5-(Ethoxycarbonyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoic acid | C20H23NO9

3-[5-(Ethoxycarbonyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoic acid

  • Molecular FormulaC20H23NO9
  • Average mass421.398 Da
  • Monoisotopic mass421.137268 Da
  • ChemSpider ID32511090

More details:

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

3-[5-(Ethoxycarbonyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoic acid [ACD/IUPAC Name]
3-[5-(Ethoxycarbonyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propansäure [German] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 5-(ethoxycarbonyl)-1,2-dihydro-4-hydroxy-2-oxo-β-(2,4,5-trimethoxyphenyl)- [ACD/Index Name]
Acide 3-[5-(éthoxycarbonyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]-3-(2,4,5-triméthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
1630861-55-0 [RN]
3-(5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoic 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: 639.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.3±3.0 kJ/mol
    Flash Point: 340.6±31.5 °C
    Index of Refraction: 1.580
    Molar Refractivity: 102.9±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 0.46
    ACD/LogD (pH 5.5): -1.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 141 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 309.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement