Analyte Name

gamma-Hydroxybutyric Acid Glucuronide disodium

Molecular Formula

C10 H14 O9 . 2Na

Molecular Weight

324.19

Accurate Mass

324.04

SMILES

O=C(O[Na])CCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O[Na])=O)O1

InChI

InChI=1S/C10H16O9.2Na/c11-4(12)2-1-3-18-10-7(15)5(13)6(14)8(19-10)9(16)17;;/h5-8,10,13-15H,1-3H2,(H,11,12)(H,16,17);;/q;2*+1/p-2/t5-,6-,7+,8-,10+;;/m0../s1

IUPAC

[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-oxo-4-sodiooxy-butoxy)tetrahydropyran-2-carbonyl]oxysodium

Alternate CAS Number

Free acid: 1439527-93-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat