2-Iodobenzoyl Glucuronide
[CAS# 20710-04-7]

Identification

• Name: 2-Iodobenzoyl Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Iodobenzoyl)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2-Iodophenyl)-Oxomethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Iodophenyl)Carbonyloxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₃IO₈
• Molecular Weight: 424.15
• CAS Registry Number: 20710-04-7
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC=CC=C2I)=O
• InChI: 1S/C13H13IO8/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13,15-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1
• InChIKey: JIYIBTDVKFKHFY-UNLLLRGISA-N

Properties

• Density: 2.068g/cm³ (Cal.)
• Boiling point: 607.798°C at 760 mmHg (Cal.)
• Flash point: 321.385°C (Cal.)