ChemSpider 2D Image | N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-glutamic Acid | C14H15NO7

N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-glutamic Acid

  • Molecular FormulaC14H15NO7
  • Average mass309.271 Da
  • Monoisotopic mass309.084839 Da
  • ChemSpider ID28467698

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

860295-23-4 [RN]
Acide N-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-glutamic Acid
(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]pentanedioic acid
(2S)-2-[3-(3,4-dihydroxyphenyl)prop-2-enamido]pentanedioic acid
(S,E)-2-(3-(3,4-Dihydroxyphenyl)acrylamido)pentanedioic acid
MFCD17018209
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 700.9±60.0 °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: 377.7±32.9 °C
    Index of Refraction: 1.660
    Molar Refractivity: 75.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: -0.31
    ACD/LogD (pH 5.5): -3.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 144 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 79.5±3.0 dyne/cm
    Molar Volume: 205.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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