ChemSpider 2D Image | Methyl 4-[(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C27H33N3O8

Methyl 4-[(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC27H33N3O8
  • Average mass527.566 Da
  • Monoisotopic mass527.226746 Da
  • ChemSpider ID4709546

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]hydroxymethyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
Methyl 4-[(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-[(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4,5-dioxo-3-pyrrolidinyliden}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
(E)-[2-(2,3-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate
(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 703.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 379.3±35.7 °C
    Index of Refraction: 1.596
    Molar Refractivity: 137.7±0.3 cm3
    #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: 131 Å2
    Polarizability: 54.6±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 404.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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