5-Chloro-7-Iodo-8-Quinolinyl-beta-D-Glucopyranosiduronic Acid
[CAS# 34296-97-4]

Identification

• Name: 5-Chloro-7-Iodo-8-Quinolinyl-beta-D-Glucopyranosiduronic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[(5-Chloro-7-Iodo-8-Quinolyl)Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(5-Chloro-7-Iodo-8-Quinolyl)Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-(5-Chloro-7-Iodo-Quinolin-8-Yl)Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₃ClINO₇
• Molecular Weight: 481.63
• CAS Registry Number: 34296-97-4
• SMILES: [C@@H]3([C@@H]([C@H]([C@H](OC1=C2C(=C(C=C1I)Cl)C=CC=N2)O[C@@H]3C(=O)O)O)O)O
• InChI: 1S/C15H13ClINO7/c16-6-4-7(17)12(8-5(6)2-1-3-18-8)24-15-11(21)9(19)10(20)13(25-15)14(22)23/h1-4,9-11,13,15,19-21H,(H,22,23)/t9-,10-,11+,13-,15+/m0/s1
• InChIKey: ZXPACOCAPRBPFP-BPJKLTAVSA-N

Properties

• Density: 2.08g/cm³ (Cal.)
• Boiling point: 713.035°C at 760 mmHg (Cal.)
• Flash point: 385.03°C (Cal.)