ChemSpider 2D Image | N-COUMAROYL-L-ASPARTIC ACID | C13H13NO6

N-COUMAROYL-L-ASPARTIC ACID

  • Molecular FormulaC13H13NO6
  • Average mass279.245 Da
  • Monoisotopic mass279.074280 Da
  • ChemSpider ID32175166
  • Double-bond stereo - Double-bond stereo


More details:






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

Acide N-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
N-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]asparaginsäure [German] [ACD/IUPAC Name]
N-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]aspartic acid [ACD/IUPAC Name]
N-COUMAROYL-L-ASPARTIC ACID
151435-24-4 [RN]
2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butanedioic acid
Caffeoyl aspartic acid
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid
p-Coumaroyl aspartic acid

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

AJE3N72YTX [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 190.4±3.0 cm3

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