Analyte Name

(4-Hydroxy-6-((1S,2R,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-nitrocyclohexyl)benzo[d][1,3]dioxol-5-yl)(pyrrolidin-1-yl)methanone

Molecular Formula

C18 H22 N2 O10

Molecular Weight

426.375

Accurate Mass

426.127

SMILES

O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)c2cc3OCOc3c(O)c2C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O10/c21-12-9(11(20(27)28)14(23)16(25)15(12)24)7-5-8-17(30-6-29-8)13(22)10(7)18(26)19-3-1-2-4-19/h5,9,11-12,14-16,21-25H,1-4,6H2/t9-,11+,12+,14-,15-,16-/m0/s1

IUPAC

[4-hydroxy-6-[(1S,2R,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-nitrocyclohexyl]-1,3-benzodioxol-5-yl]-pyrrolidin-1-ylmethanone

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat