Analyte Name

4-Nitrophenyl 2-Acetamido-2-deoxy-(6-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl)-alpha-D-galactopyranoside

CAS Number

235752-73-5

Molecular Formula

C22 H31 N3 O13

Molecular Weight

545.49

Accurate Mass

545.1857

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]2O[C@H](Oc3ccc(cc3)[N+](=O)[O-])[C@H](NC(=O)C)[C@@H](O)[C@@H]2O

InChI

InChI=1S/C22H31N3O13/c1-9(27)23-15-19(31)17(29)13(7-26)37-21(15)35-8-14-18(30)20(32)16(24-10(2)28)22(38-14)36-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26,29-32H,7-8H2,1-2H3,(H,23,27)(H,24,28)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1

IUPAC

N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat