ChemSpider 2D Image | (E)-{2-(4-Methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate | C33H36N2O6

(E)-{2-(4-Methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate

  • Molecular FormulaC33H36N2O6
  • Average mass556.649 Da
  • Monoisotopic mass556.257324 Da
  • ChemSpider ID4858493

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-{2-(4-Methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinyliden}{4-[(3-methylbenzyl)oxy]phenyl}methanolat [German] [ACD/IUPAC Name]
(E)-{2-(4-Methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate [ACD/IUPAC Name]
(E)-{2-(4-Méthoxyphényl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidène}{4-[(3-méthylbenzyl)oxy]phényl}méthanolate [French] [ACD/IUPAC Name]
Morpholinium, 4-[3-[(3E)-3-[hydroxy[4-[(3-methylphenyl)methoxy]phenyl]methylene]-2-(4-methoxyphenyl)-4,5-dioxo-1-pyrrolidinyl]propyl]-, inner salt [ACD/Index Name]
(4E)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
(E)-{2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate

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

    Density:
    Boiling Point: 742.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.7±3.0 kJ/mol
    Flash Point: 403.1±35.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.01
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 1.33
    ACD/KOC (pH 5.5): 9.57
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.86
    Polar Surface Area: 93 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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