ChemSpider 2D Image | 3-(5-{1-[1-(Carboxymethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}-2-furyl)benzoic acid | C23H21NO9

3-(5-{1-[1-(Carboxymethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}-2-furyl)benzoic acid

  • Molecular FormulaC23H21NO9
  • Average mass455.414 Da
  • Monoisotopic mass455.121643 Da
  • ChemSpider ID32511477

More details:

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

3-(5-{1-[1-(Carboxymethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}-2-furyl)benzoesäure [German] [ACD/IUPAC Name]
3-(5-{1-[1-(Carboxymethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]-3-methoxy-3-oxopropyl}-2-furyl)benzoic acid [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 1-(carboxymethyl)-β-[5-(3-carboxyphenyl)-2-furanyl]-1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, α-methyl ester [ACD/Index Name]
Acide 3-(5-{1-[1-(carboxyméthyl)-4-hydroxy-6-méthyl-2-oxo-1,2-dihydro-3-pyridinyl]-3-méthoxy-3-oxopropyl}-2-furyl)benzoïque [French] [ACD/IUPAC Name]
1630832-20-0 [RN]
3-[5-[1-[1-(carboxymethyl)-4-hydroxy-6-methyl-2-oxopyridin-3-yl]-3-methoxy-3-oxopropyl]furan-2-yl]benzoic 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: 724.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.1±3.0 kJ/mol
    Flash Point: 391.9±32.9 °C
    Index of Refraction: 1.625
    Molar Refractivity: 111.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): -1.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 155 Å2
    Polarizability: 44.3±0.5 10-24cm3
    Surface Tension: 65.7±3.0 dyne/cm
    Molar Volume: 316.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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