Analyte Name

Valproic Acid-d6 Benzyl beta-D-Glucuronate

Molecular Formula

C21 D6 H24 O8

Molecular Weight

416.495

Accurate Mass

416.232

SMILES

[2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCc2ccccc2

InChI

InChI=1S/C21H30O8/c1-3-8-14(9-4-2)19(25)29-21-17(24)15(22)16(23)18(28-21)20(26)27-12-13-10-6-5-7-11-13/h5-7,10-11,14-18,21-24H,3-4,8-9,12H2,1-2H3/t15-,16-,17+,18-,21-/m0/s1/i1D3,2D3

IUPAC

benzyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoyl]oxyoxane-2-carboxylate

Unlabelled CAS Number

946517-40-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat