3,5-Diiodo-O-[3-Iodo-4-(Sulfooxy)Phenyl]-L-Tyrosine
[CAS# 31135-55-4]

Identification

• Name: 3,5-Diiodo-O-[3-Iodo-4-(Sulfooxy)Phenyl]-L-Tyrosine
• Synonyms: (2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid; 3,3',5-triiodo-L-thyronine sulfate; 3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
• Molecular Formula: C₁₅H₁₂I₃NO₇S
• Molecular Weight: 731.04
• CAS Registry Number: 31135-55-4
• SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)OS(=O)(=O)O
• InChI: 1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1
• InChIKey: XBQYQXVJBNDCGY-LBPRGKRZSA-N

Properties

• Density: 2.4±0.1g/cm³ (Cal.)