ChemSpider 2D Image | (E)-{2-(3,4-Dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate | C27H33N3O8

(E)-{2-(3,4-Dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

  • Molecular FormulaC27H33N3O8
  • Average mass527.566 Da
  • Monoisotopic mass527.226746 Da
  • ChemSpider ID4713511

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-{2-(3,4-Dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-3-pyrrolidinyliden}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolat [German] [ACD/IUPAC Name]
(E)-{2-(3,4-Dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate [ACD/IUPAC Name]
(E)-{2-(3,4-Diméthoxyphényl)-1-[2-(morpholin-4-ium-4-yl)éthyl]-4,5-dioxo-3-pyrrolidinylidène}[5-(méthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]méthanolate [French] [ACD/IUPAC Name]
Morpholinium, 4-[2-[(3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dioxo-1-pyrrolidinyl]ethyl]-, inner salt [ACD/Index Name]
(E)-{2-(3,4-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
methyl 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

    Density:
    Boiling Point: 712.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.4±3.0 kJ/mol
    Flash Point: 384.9±35.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.55
    ACD/LogD (pH 7.4): -0.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.14
    Polar Surface Area: 135 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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