ChemSpider 2D Image | 2-Ammonio-3-[4-(3,5-diiodo-4-oxidophenoxy)-3-iodophenyl]propanoate | C15H11I3NO4

2-Ammonio-3-[4-(3,5-diiodo-4-oxidophenoxy)-3-iodophenyl]propanoate

  • Molecular FormulaC15H11I3NO4
  • Average mass649.966 Da
  • Monoisotopic mass649.782715 Da
  • ChemSpider ID21233566

  • Charge - Charge

More details:

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

2-Ammonio-3-[4-(3,5-diiod-4-oxidophenoxy)-3-iodphenyl]propanoat [German] [ACD/IUPAC Name]
2-Ammonio-3-[4-(3,5-diiodo-4-oxidophenoxy)-3-iodophenyl]propanoate [ACD/IUPAC Name]
2-Ammonio-3-[4-(3,5-diiodo-4-oxydophénoxy)-3-iodophényl]propanoate [French] [ACD/IUPAC Name]
Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-, inner salt, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 14.66
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 5.58
Polar Surface Area: 100 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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