4-Methylumbelliferyl beta-Glucuronide
[CAS# 84434-84-4]

Identification

• Name: 4-Methylumbelliferyl beta-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Methyl-2-Oxo-Chromen-7-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(4-Methyl-2-Oxo-7-Chromenyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Keto-4-Methyl-Chromen-7-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆O₉
• Molecular Weight: 352.30
• CAS Registry Number: 84434-84-4
• SMILES: [C@@H]3(O[C@@H](OC2=CC1=C(C(=CC(O1)=O)C)C=C2)[C@@H]([C@H]([C@@H]3O)O)O)C(=O)O
• InChI: 1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1
• InChIKey: ARQXEQLMMNGFDU-JHZZJYKESA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 683.106°C at 760 mmHg (Cal.)
• Flash point: 254.961°C (Cal.)