ChemSpider 2D Image | 2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine | C23H22N2O6

2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine

  • Molecular FormulaC23H22N2O6
  • Average mass422.431 Da
  • Monoisotopic mass422.147797 Da
  • ChemSpider ID26329750
  • 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

2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine
2-Hydroxy-5-{[(2E)-1-(2-naphthyloxy)-4-oxo-2-buten-2-yl]amino}-L-tyrosin [German] [ACD/IUPAC Name]
2-Hydroxy-5-{[(2E)-1-(2-naphthyloxy)-4-oxo-2-buten-2-yl]amino}-L-tyrosine [ACD/IUPAC Name]
2-Hydroxy-5-{[(2E)-1-(2-naphtyloxy)-4-oxo-2-butén-2-yl]amino}-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, 2-hydroxy-5-[[(1E)-1-[(2-naphthalenyloxy)methyl]-3-oxo-1-propen-1-yl]amino]- [ACD/Index Name]
(2S)-2-amino-3-(2,4-dihydroxy-5-{[(2E)-1-(naphthalen-2-yloxy)-4-oxobut-2-en-2-yl]amino}phenyl)propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.0±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

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