ChemSpider 2D Image | O-(4-Hydroxyphenyl)-N,N,alpha-triiodo-L-tyrosine | C15H12I3NO4

O-(4-Hydroxyphenyl)-N,N,α-triiodo-L-tyrosine

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID18525803

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, O-(4-hydroxyphenyl)-N,N,α-triiodo- [ACD/Index Name]
O-(4-Hydroxyphenyl)-N,N,α-triiod-L-tyrosin [German] [ACD/IUPAC Name]
O-(4-Hydroxyphenyl)-N,N,α-triiodo-L-tyrosine [ACD/IUPAC Name]
O-(4-Hydroxyphényl)-N,N,α-triiodo-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
20196-64-9 [RN]
6893-02-3 [RN]
l-triiodothyronine
Triiodothyronine
Tri-iodothyronine

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

Density: 2.4±0.1 g/cm3
Boiling Point: 592.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.3±32.9 °C
Index of Refraction: 1.792
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 8.64
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 3.99
Polar Surface Area: 70 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 266.2±3.0 cm3

Click to predict properties on the Chemicalize site


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