Thyroxine Glucuronide
[CAS# 21462-56-6]

Identification

• Name: Thyroxine Glucuronide
• Synonyms: (2S,3S,4S,5R)-6-[4-[4-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-2,6-Diiodo-Phenoxy]-2,6-Diiodo-Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[4-[4-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-2,6-Diiodophenoxy]-2,6-Diiodophenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-[4-[4-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propyl]-2,6-Diiodo-Phenoxy]-2,6-Diiodo-Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₉I₄NO₁₀
• Molecular Weight: 953.00
• CAS Registry Number: 21462-56-6
• SMILES: [C@H](C(=O)O)(N)CC3=CC(=C(OC1=CC(=C(C(=C1)I)OC2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O)I)C(=C3)I)I
• InChI: 1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/t12-,13-,14-,15+,18-,21?/m0/s1
• InChIKey: RGHRJBIKIYUHEV-SGPDEFQSSA-N

Properties

• Density: 2.527g/cm³ (Cal.)
• Boiling point: 888.687°C at 760 mmHg (Cal.)
• Flash point: 491.26°C (Cal.)