Analyte Name

Trichloroethyl-13C2,d2 beta-D-Glucuronide Potassium Salt

Molecular Formula

13C2 C6 D2 H8 Cl3 K O7

Molecular Weight

367.616

Accurate Mass

365.932

SMILES

[2H][13C]([2H])(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O[K])[13C](Cl)(Cl)Cl

InChI

InChI=1S/C8H11Cl3O7.K/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16;/h2-5,7,12-14H,1H2,(H,15,16);/q;+1/p-1/t2-,3-,4+,5-,7+;/m0./s1/i1+1D2,8+1;

IUPAC

[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloro-1,1-dideuterio(1,2-13C2)ethoxy)oxane-2-carbonyl]oxypotassium

Unlabelled CAS Number

97-25-6

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat