1-O-(3-Methylbutanoyl)-beta-D-glucopyranuronic acid
[CAS# 88070-93-3]

Identification

• Name: 1-O-(3-Methylbutanoyl)-beta-D-glucopyranuronic acid
• Synonyms: Isovalerylglucuronide; Isovaleryl-β-D-glucuronide
• Molecular Formula: C₁₁H₁₈O₈
• Molecular Weight: 278.26
• CAS Registry Number: 88070-93-3
• SMILES: O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CC(C)C
• InChI: 1S/C11H18O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h4,6-9,11,13-15H,3H2,1-2H3,(H,16,17)/t6-,7-,8+,9-,11+/m0/s1
• InChIKey: VOJAALAAOYUSCT-ZCLKDUABSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 466.085°C at 760 mmHg (Cal.)
• Flash point: 177.618°C (Cal.)