(5xi)-1-O-(2-Acetoxybenzoyl)-beta-D-lyxo-hexopyranuronic acid
[CAS# 24719-72-0]

Identification

• Name: (5xi)-1-O-(2-Acetoxybenzoyl)-beta-D-lyxo-hexopyranuronic acid
• Synonyms: Acetylsalicylic Acid Acyl-β-D-glucuronide
• Molecular Formula: C₁₅H₁₆O₁₀
• Molecular Weight: 356.28
• CAS Registry Number: 24719-72-0
• SMILES: CC(=O)Oc1ccccc1C(=O)O[C@H]2[C@H]([C@H]([C@@H](C(O2)C(=O)O)O)O)O
• InChI: 1S/C15H16O10/c1-6(16)23-8-5-3-2-4-7(8)14(22)25-15-11(19)9(17)10(18)12(24-15)13(20)21/h2-5,9-12,15,17-19H,1H3,(H,20,21)/t9-,10-,11-,12?,15-/m0/s1
• InChIKey: VHJPVKQXMOFZPM-FQUNMTOKSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 592.532°C at 760 mmHg (Cal.)
• Flash point: 219.46°C (Cal.)
• Refractive index: 1.625 (Cal.)