2-Methylphenyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid
[CAS# 111897-99-5]

Identification

• Name: 2-Methylphenyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid
• Synonyms: o-Cresol ¦Á-D-Glucuronide; o-Cresol β-D-Glucuronide
• Molecular Formula: C₁₃H₁₆O₇
• Molecular Weight: 284.26
• CAS Registry Number: 111897-99-5
• SMILES: Cc1ccccc1O[C@@H]2[C@@H]([C@@H]([C@H](C(O2)C(=O)O)O)O)O
• InChI: 1S/C13H16O7/c1-6-4-2-3-5-7(6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10-,11?,13+/m1/s1
• InChIKey: UPSZSICMSBXXRN-YWNZWZMFSA-N

Properties

• Density: 1.524g/cm³ (Cal.)
• Boiling point: 541.172°C at 760 mmHg (Cal.)
• Flash point: 208.172°C (Cal.)
• Refractive index: 1.634 (Cal.)