Monomethyl Phthalate-d4 O-Benzyl O-Beta-D-Glucuronide

Analyte Name

Monomethyl Phthalate-d4 O-Benzyl O-beta-D-Glucuronide

Molecular Formula

C22H18D4O10

Molecular Weight

450.43

Accurate Mass

450.15

SMILES

O=C(OC)C1=C([2H])C([2H])=C([2H])C([2H])=C1C(O[C@@H]2O[C@H](C(OCC3=CC=CC=C3)=O)[C@@H](O)[C@H](O)[C@H]2O)=O

InChI

InChI=1S/C22H22O10/c1-29-19(26)13-9-5-6-10-14(13)20(27)32-22-17(25)15(23)16(24)18(31-22)21(28)30-11-12-7-3-2-4-8-12/h2-10,15-18,22-25H,11H2,1H3/t15-,16-,17+,18-,22-/m0/s1/i5D,6D,9D,10D

IUPAC

(2S,3R,4S,5S,6S)-6-((benzyloxy)carbonyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl methyl phthalate-d4

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat