Analyte Name

(R)-Hydroxy-Bexagliflozin

CAS Number

2495182-16-4

Molecular Formula

C25 H29 Cl O8

Molecular Weight

480.94

Accurate Mass

480.16

SMILES

ClC1=C(C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)[C@@H](O)C3=CC=C(OCCOC4CC4)C=C3

InChI

InChI=1S/C24H29ClO8/c25-18-8-3-14(24-23(30)22(29)21(28)19(12-26)33-24)11-17(18)20(27)13-1-4-15(5-2-13)31-9-10-32-16-6-7-16/h1-5,8,11,16,19-24,26-30H,6-7,9-10,12H2/t19-,20+,21-,22+,23-,24+/m1/s1

IUPAC

(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((S)-(4-(2-cyclopropoxyethoxy)phenyl)(hydroxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Country of Origin

CANADA

Product Format

Neat