O-(4-Hydroxy-3-Iodophenyl)-3,5-Diiodo-L-Tyrosine, Labeled With (125I)Iodine
[CAS# 15785-49-6]

Identification

• Name: O-(4-Hydroxy-3-Iodophenyl)-3,5-Diiodo-L-Tyrosine, Labeled With (125I)Iodine
• Synonyms: 2-Amino-3-[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Propanoic Acid; 2-Amino-3-[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Propionic Acid; Divk1c_000727
• Molecular Formula: C₁₅H₁₂I₃NO₄
• Molecular Weight: 650.98
• CAS Registry Number: 15785-49-6 (5714-08-9)
• EINECS: 239-882-9
• SMILES: C1=C(CC(C(O)=O)N)C=C(C(=C1I)OC2=CC=C(C(=C2)I)O)I
• InChI: 1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)
• InChIKey: AUYYCJSJGJYCDS-UHFFFAOYSA-N

Properties

• Density: 2.387g/cm³ (Cal.)
• Boiling point: 563.527°C at 760 mmHg (Cal.)
• Flash point: 294.611°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493