ChemSpider 2D Image | 2-Amino-3-(4',5-dihydroxy-3',4,6-triiodo-2-biphenylyl)propanoic acid (non-preferred name) | C15H12I3NO4

2-Amino-3-(4',5-dihydroxy-3',4,6-triiodo-2-biphenylyl)propanoic acid (non-preferred name)

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID95621658

More details:

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

2-Amino-3-(4',5-dihydroxy-3',4,6-triiod-2-biphenylyl)propansäure (non-preferred name) [German] [ACD/IUPAC Name]
2-Amino-3-(4',5-dihydroxy-3',4,6-triiodo-2-biphenylyl)propanoic acid (non-preferred name) [ACD/IUPAC Name]
Acide 2-amino-3-(4',5-dihydroxy-3',4,6-triiodo-2-biphénylyl)propanoïque (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.790
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 7.48
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 104 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 265.8±3.0 cm3

Click to predict properties on the Chemicalize site


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