Analyte Name

4-Nitrophenyl b-D-xylotrioside

CAS Number

173468-29-6

Molecular Formula

C21 H29 N O15

Molecular Weight

535.453

Accurate Mass

535.154

SMILES

O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](Oc4ccc(cc4)[N+](=O)[O-])[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI

InChI=1S/C21H29NO15/c23-10-5-32-20(16(27)13(10)24)36-12-7-34-21(18(29)15(12)26)37-11-6-33-19(17(28)14(11)25)35-9-3-1-8(2-4-9)22(30)31/h1-4,10-21,23-29H,5-7H2/t10-,11-,12-,13+,14+,15+,16-,17-,18-,19+,20+,21+/m1/s1

IUPAC

(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat