6-O-Galloylglucose
[CAS# 13186-19-1]

Identification

• Name: 6-O-Galloylglucose
• Synonyms: [(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexyl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Keto-Hexyl] Ester
• Molecular Formula: C₁₃H₁₆O₁₀
• Molecular Weight: 332.26
• CAS Registry Number: 13186-19-1
• SMILES: [C@H](O)([C@H](O)[C@@H](O)C=O)[C@H](O)COC(=O)C1=CC(=C(O)C(=C1)O)O
• InChI: 1S/C13H16O10/c14-3-8(17)11(20)12(21)9(18)4-23-13(22)5-1-6(15)10(19)7(16)2-5/h1-3,8-9,11-12,15-21H,4H2/t8-,9+,11+,12+/m0/s1
• InChIKey: SMZJCCHIPATQCN-LUTQBAROSA-N

Properties

• Density: 1.713g/cm³ (Cal.)
• Boiling point: 764.721°C at 760 mmHg (Cal.)
• Flash point: 287.52°C (Cal.)