ChemSpider 2D Image | N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]tyrosine | C18H17NO6

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

  • Molecular FormulaC18H17NO6
  • Average mass343.331 Da
  • Monoisotopic mass343.105591 Da
  • ChemSpider ID22546930

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]tyrosin [German] [ACD/IUPAC Name]
N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]tyrosine [ACD/IUPAC Name]
N-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]tyrosine [French] [ACD/IUPAC Name]
N-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]tyrosine
Tyrosine, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
(E)-2-(3-(3,4-dihydroxyphenyl)acrylamido)-3-(4-hydroxyphenyl)propanoic acid
124027-56-1 [RN]
2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-(4-hydroxyphenyl)propanoic acid
2-[3-(3,4-dihydroxy-phenyl)-acryloylamino]-3-(4-hydroxy-phenyl)-propionic acid
2-[3-(3,4-DIHYDROXYPHENYL)PROP-2-ENAMIDO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.5±0.1 g/cm3
Boiling Point: 726.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.1±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 236.9±3.0 cm3

Click to predict properties on the Chemicalize site


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