ChemSpider 2D Image | Methyl N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tyrosinate | C17H19N3O6

Methyl N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tyrosinate

  • Molecular FormulaC17H19N3O6
  • Average mass361.349 Da
  • Monoisotopic mass361.127380 Da
  • ChemSpider ID21528988

More details:

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

Methyl N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tyrosinate [ACD/IUPAC Name]
Methyl-N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden)methyl]tyrosinat [German] [ACD/IUPAC Name]
N-[(1,3-Diméthyl-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène)méthyl]tyrosinate de méthyle [French] [ACD/IUPAC Name]
Tyrosine, N-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-, methyl ester [ACD/Index Name]
2-[(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid methyl ester
methyl 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-(4-hydroxyphenyl)propanoate
methyl N-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]tyrosinate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 525.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.0±3.0 kJ/mol
    Flash Point: 271.9±32.9 °C
    Index of Refraction: 1.635
    Molar Refractivity: 91.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.09
    ACD/LogD (pH 5.5): 0.41
    ACD/BCF (pH 5.5): 1.21
    ACD/KOC (pH 5.5): 39.94
    ACD/LogD (pH 7.4): 0.41
    ACD/BCF (pH 7.4): 1.21
    ACD/KOC (pH 7.4): 39.76
    Polar Surface Area: 116 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 66.9±3.0 dyne/cm
    Molar Volume: 256.6±3.0 cm3

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