3-Hydroxykynurenine-O-Beta-glucoside (Mixture of Diastereomers)

Analyte Name

3-Hydroxykynurenine-O-beta-glucoside

CAS Number

23224-46-6

Molecular Formula

C16 H22 N2 O9

Molecular Weight

386.35

Accurate Mass

386.1325

SMILES

N[C@@H](CC(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1N)C(=O)O

InChI

InChI=1S/C16H22N2O9/c17-7(15(24)25)4-8(20)6-2-1-3-9(11(6)18)26-16-14(23)13(22)12(21)10(5-19)27-16/h1-3,7,10,12-14,16,19,21-23H,4-5,17-18H2,(H,24,25)/t7-,10+,12+,13-,14+,16+/m0/s1

IUPAC

(2S)-2-amino-4-[2-amino-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxobutanoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)