4-Methylumbelliferyl Di-N-Acetyl-Beta-D-chitobiose

Analyte Name

4-Methylumbelliferyl Di-N-Acetyl-beta-D-chitobiose

CAS Number

53643-12-2

Molecular Formula

C26 H34 N2 O13

Molecular Weight

582.55

Accurate Mass

582.2061

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](Oc3ccc4C(=CC(=O)Oc4c3)C)O[C@@H]2CO

InChI

InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1

IUPAC

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)