O-(4-Hydroxyphenyl)-3,5-Diiodo-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Tyrosine
[CAS# 178877-78-6]

Identification

• Name: O-(4-Hydroxyphenyl)-3,5-Diiodo-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Tyrosine
• Synonyms: (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid; Boc-3,5-diiodo-L-thyronine; MFCD02682264
• Molecular Formula: C₂₀H₂₁I₂NO₆
• Molecular Weight: 625.19
• CAS Registry Number: 178877-78-6
• SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc2cc(I)c(Oc1ccc(O)cc1)c(I)c2
• InChI: 1S/C20H21I2NO6/c1-20(2,3)29-19(27)23-16(18(25)26)10-11-8-14(21)17(15(22)9-11)28-13-6-4-12(24)5-7-13/h4-9,16,24H,10H2,1-3H3,(H,23,27)(H,25,26)/t16-/m0/s1
• InChIKey: GITVZOAWZWYUTL-INIZCTEOSA-N

Properties

• Density: 1.829g/cm³ (Cal.)
• Boiling point: 642.097°C at 760 mmHg (Cal.)
• Flash point: 342.128°C (Cal.)
• Refractive index: 1.65 (Cal.)

Safety Data

• Safety Description: IRRITANT