ChemSpider 2D Image | (E)-[4,5-Dioxo-1-(3-pyridiniumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene](4-isopropoxy-3-methylphenyl)methanolate | C30H32N2O7

(E)-[4,5-Dioxo-1-(3-pyridiniumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene](4-isopropoxy-3-methylphenyl)methanolate

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID4718253

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-[4,5-Dioxo-1-(3-pyridiniumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinyliden](4-isopropoxy-3-methylphenyl)methanolat [German] [ACD/IUPAC Name]
(E)-[4,5-Dioxo-1-(3-pyridiniumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene](4-isopropoxy-3-methylphenyl)methanolate [ACD/IUPAC Name]
(E)-[4,5-Dioxo-1-(3-pyridiniumylméthyl)-2-(3,4,5-triméthoxyphényl)-3-pyrrolidinylidène](4-isopropoxy-3-méthylphényl)méthanolate [French] [ACD/IUPAC Name]
Pyridinium, 3-[[(3E)-3-[hydroxy[3-methyl-4-(1-methylethoxy)phenyl]methylene]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-1-pyrrolidinyl]methyl]-, inner salt [ACD/Index Name]
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene][3-methyl-4-(propan-2-yloxy)phenyl]methanolate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density:
    Boiling Point: 700.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.7±3.0 kJ/mol
    Flash Point: 377.6±35.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.12
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 11.36
    ACD/KOC (pH 5.5): 97.87
    ACD/LogD (pH 7.4): 0.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.85
    Polar Surface Area: 112 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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