ChemSpider 2D Image | [3-(1-{4-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-methoxy-3-oxopropyl)-4-hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl]acetic acid | C28H29NO8

[3-(1-{4-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-methoxy-3-oxopropyl)-4-hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl]acetic acid

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID32510240

More details:

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

[3-(1-{4-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-methoxy-3-oxopropyl)-4-hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl]acetic acid [ACD/IUPAC Name]
[3-(1-{4-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-methoxy-3-oxopropyl)-4-hydroxy-6-methyl-2-oxo-1(2H)-pyridinyl]essigsäure [German] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 1-(carboxymethyl)-β-[4-[2-(2,3-dihydro-5-benzofuranyl)ethoxy]phenyl]-1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, α-methyl ester [ACD/Index Name]
Acide [3-(1-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)éthoxy]phényl}-3-méthoxy-3-oxopropyl)-4-hydroxy-6-méthyl-2-oxo-1(2H)-pyridinyl]acétique [French] [ACD/IUPAC Name]
1630870-91-5 [RN]
2-(3-(1-(4-(2-(2,3-dihydrobenzofuran-5-yl)ethoxy)phenyl)-3-methoxy-3-oxopropyl)-4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)acetic acid
2-[3-[1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-methyl-2-oxopyridin-1-yl]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: 752.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±3.0 kJ/mol
    Flash Point: 408.8±32.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 132.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): 0.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.58
    ACD/LogD (pH 7.4): -1.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 60.8±3.0 dyne/cm
    Molar Volume: 377.2±3.0 cm3

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