ChemSpider 2D Image | 2-Ammonio-3-[4-(phosphonatooxy)phenyl]propanoate | C9H10NO6P

2-Ammonio-3-[4-(phosphonatooxy)phenyl]propanoate

  • Molecular FormulaC9H10NO6P
  • Average mass259.154 Da
  • Monoisotopic mass259.025665 Da
  • ChemSpider ID29368454

  • Charge - Charge

More details:

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

2-Ammonio-3-[4-(phosphonatooxy)phenyl]propanoat [German] [ACD/IUPAC Name]
2-Ammonio-3-[4-(phosphonatooxy)phenyl]propanoate [ACD/IUPAC Name]
2-Ammonio-3-[4-(phosphonatooxy)phényl]propanoate [French] [ACD/IUPAC Name]
Tyrosine, O-phosphono-, inner salt, ion(2-) [ACD/Index Name]
2-azaniumyl-3-[4-(phosphonatooxy)phenyl]propanoate
O(4)-phosphonatotyrosine(2-)
O(4)-phosphotyrosine(2-)
O-phosphotyrosine(2-)
phosphotyrosine(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups as well as protonation of the amino group of O(4)-phosphotyrosine ChEBI CHEBI:74955
      An organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups as well as protonation of the amino group of O4-phosphotyrosine ChEBI CHEBI:74955

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

Density:
Boiling Point: 521.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability:
Surface Tension:
Molar Volume:

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