ChemSpider 2D Image | N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-L-glutamic acid | C14H15NO7

N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-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

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]
(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]pentanedioic acid
(S,E)-2-(3-(3,4-Dihydroxyphenyl)acrylamido)pentanedioic acid
860295-23-4 [RN]
N-(3',4'-DIHYDROXY-(E)-CINNAMOYL)-L-GLUTAMIC ACID
N-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-L-glutamic acid
N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-glutamic Acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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