4-Aminophenyl 1-Thio-Beta-D-cellobioside

Product Specifications

CAS Number

68636-51-1

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

Nc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1

Molecular Formula

C18 H27 N O10 S

Molecular Weight

449.47

InChI

InChI=1S/C18H27NO10S/c19-7-1-3-8(4-2-7)30-18-15(26)13(24)16(10(6-21)28-18)29-17-14(25)12(23)11(22)9(5-20)27-17/h1-4,9-18,20-26H,5-6,19H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18+/m1/s1

Additionnal Information

IUPAC name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol