Acetaminophen Glucuronide
[CAS# 16110-10-4]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: Acetaminophen Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-(4-Acetamidophenoxy)-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-(4-Acetamidophenoxy)-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-(4-Acetamidophenoxy)-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₇NO₈
• Molecular Weight: 327.29
• CAS Registry Number: 16110-10-4
• SMILES: [C@@H]2(O[C@@H](OC1=CC=C(NC(=O)C)C=C1)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)O
• InChI: 1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
• InChIKey: IPROLSVTVHAQLE-BYNIDDHOSA-N

Properties

• Density: 1.61g/cm³ (Cal.)
• Boiling point: 697.448°C at 760 mmHg (Cal.)
• Flash point: 375.603°C (Cal.)