7-Hydroxy Coumarin-d5 Beta-D-Glucuronide Sodium Salt

Analyte Name

7-Hydroxy Coumarin-d5 b-D-Glucuronide Sodium Salt

Molecular Formula

C15H8D5NaO9

Molecular Weight

365.28

Accurate Mass

365.08

SMILES

O=C1OC2=C([2H])C(O[C@@H]([C@@H]3O)O[C@H](C(O[Na])=O)[C@@H](O)[C@@H]3O)=C([2H])C([2H])=C2C([2H])=C1[2H]

InChI

InChI=1S/C15H14O9.Na/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21;/h1-5,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1/i1D,2D,3D,4D,5D;

IUPAC

sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-oxo-2H-chromen-7-yl-3,4,5,6,8-d5)oxy)tetrahydro-2H-pyran-2-carboxylate

Unlabelled CAS Number

168286-98-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)