Isosorbide 5-Mononitrate 2-beta-D-Glucuronide

Analyte Name

(2S,3S,4S,5R,6R)-6-(((3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro(3,2-b)furan-3-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Number

32871-20-8

Molecular Formula

C12 H17 N O12

Molecular Weight

367.263

Accurate Mass

367.075

SMILES

O[C@@H]1[C@@H](O)[C@H](O[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)O[N+](=O)[O-])O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5-,6-,7+,8+,9+,10-,12+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat