3,5,6-Trichloro-2-Pyridinol Glucuronide
[CAS# 58997-12-9]

Identification

• Name: 3,5,6-Trichloro-2-Pyridinol Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(3,5,6-Trichloro-2-Pyridyl)Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(3,5,6-Trichloro-2-Pyridyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(3,5,6-Trichloropyridin-2-Yl)Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₁H₁₀Cl₃NO₇
• Molecular Weight: 374.56
• CAS Registry Number: 58997-12-9
• SMILES: [C@H]2(OC1=NC(=C(C=C1Cl)Cl)Cl)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C11H10Cl3NO7/c12-2-1-3(13)9(15-8(2)14)22-11-6(18)4(16)5(17)7(21-11)10(19)20/h1,4-7,11,16-18H,(H,19,20)/t4-,5-,6+,7-,11-/m0/s1
• InChIKey: XIPKXSPRDJUGPJ-DEGUGSHBSA-N

Properties

• Density: 1.88g/cm³ (Cal.)
• Boiling point: 597.079°C at 760 mmHg (Cal.)
• Flash point: 314.902°C (Cal.)