ChemSpider 2D Image | O-(4-Hydroxy-3-iodophenyl)-3-iodotyrosine | C15H13I2NO4


  • Molecular FormulaC15H13I2NO4
  • Average mass525.077 Da
  • Monoisotopic mass524.893372 Da
  • ChemSpider ID59002

More details:

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

2-Amino-3-[4-(4-hydroxy-3-iodphenoxy)-3-iodphenyl]propansäure [German]
Acide 2-amino-3-[4-(4-hydroxy-3-iodophénoxy)-3-iodophényl]propanoïque [French]
O-(4-Hydroxy-3-iodophenyl)-3-iodotyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3-iodophényl)-3-iodotyrosine [French] [ACD/IUPAC Name]
O-(4-Hydroxy-3-iodphenyl)-3-iodtyrosin [German] [ACD/IUPAC Name]
Tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo- [ACD/Index Name]
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid

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

CHEBI:35430 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 520.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.7±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 7.44
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 93 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

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