ChemSpider 2D Image | N-CAFFEOYL-L-ASPARTIC ACID | C13H13NO7

N-CAFFEOYL-L-ASPARTIC ACID

  • Molecular FormulaC13H13NO7
  • Average mass295.245 Da
  • Monoisotopic mass295.069214 Da
  • ChemSpider ID35032848

  • Double-bond stereo - Double-bond stereo

More details:

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

Acide N-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]asparaginsäure [German] [ACD/IUPAC Name]
N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]aspartic acid [ACD/IUPAC Name]
N-CAFFEOYL-L-ASPARTIC ACID
(+)-N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-aspartic acid
2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]butanedioic acid
860295-20-1 [RN]
Caffeoyl aspartic acid
N-Caffeoylaspartic acid

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

9629A6NZ0S [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -3.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 85.0±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

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