Valproic Acid Β-D-Glucuronide

• CAS: 60113-83-9
• Catalog Number: ACM60113839
• Category: Other Products
• Molecular Weight: 320.34
• Molecular Formula: C14H24O8
• Synonyms: 1-(2-Propylpentanoate) β-D-Glucopyranuronic Acid; 1-O-Valproyl-β-D-glucopyranuronic Acid; Dipropylacetate Glucuronide; VPA-G; Valproate Glucuronide; Valproic Acid Glucuronide
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-propylpentanoyloxy)oxane-2-carboxylic acid
• Canonical SMILES: CCCC(CCC)C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O
• InChI Key: XXKSYIHWRBBHIC-JVWRJRKNSA-N
• Boiling Point: 491.9ºC at 760 mmHg
• Melting Point: 118-120 °C
• Flash Point: 178ºC
• Density: 1.33g/cm³
• Appearance: Pale Yellow Solid
• Exact Mass: 320.14700
• H-Bond Acceptor: 8
• H-Bond Donor: 4