Analyte Name

p-Nitrophenyl-beta-D-melibiose

CAS Number

335193-88-9

Molecular Formula

C18 H25 N O13

Molecular Weight

463.39

Accurate Mass

463.1326

SMILES

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

InChI

InChI=1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-/m1/s1

IUPAC

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat