(2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfooxyphenoxy)-3,5-Diiodophenyl]Propanoic Acid
[CAS# 77074-49-8]

Identification

• Name: (2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfooxyphenoxy)-3,5-Diiodophenyl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfooxy-Phenoxy)-3,5-Diiodo-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[4-(3,5-Diiodo-4-Sulfoxy-Phenoxy)-3,5-Diiodo-Phenyl]Propionic Acid; L-Tyrosine, O-(3,5-Diiodo-4-(Sulfooxy)Phenyl)-3,5-Diiodo-
• Molecular Formula: C₁₅H₁₁I₄NO₇S
• Molecular Weight: 856.93
• CAS Registry Number: 77074-49-8
• SMILES: [C@H](C(=O)O)(N)CC2=CC(=C(OC1=CC(=C(C(=C1)I)O[S](=O)(=O)O)I)C(=C2)I)I
• InChI: 1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/t12-/m0/s1
• InChIKey: QYXIJUZWSSQICT-LBPRGKRZSA-N

Properties

• Density: 2.658g/cm³ (Cal.)