Analyte Name

1-Deoxy-4-O-beta-D-glucopyranosyl-1-[4-[(2s)-2-(pentane-1,5-dioic acid)amino]phenylimino]-D-glucitol

Molecular Formula

C23 H34 N2 O14

Molecular Weight

562.521

Accurate Mass

562.201

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Nc3ccc(NC(CCC(=O)O)C(=O)O)cc3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C23H34N2O14/c26-7-12-15(30)16(31)19(34)23(38-12)39-20-13(8-27)37-21(18(33)17(20)32)25-10-3-1-9(2-4-10)24-11(22(35)36)5-6-14(28)29/h1-4,11-13,15-21,23-27,30-34H,5-8H2,(H,28,29)(H,35,36)/t11?,12-,13-,15-,16+,17-,18-,19-,20-,21-,23+/m1/s1

IUPAC

2-[4-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]anilino]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat