2-(Pivaloyloxy) 1R-Dapagliflozin bis(2,2-Dimethylpropanoate)

Analyte Name

2-(Pivaloyloxy) 1R-Dapagliflozin bis(2,2-Dimethylpropanoate)

Molecular Formula

C36 H49 Cl O9

Molecular Weight

661.222

Accurate Mass

660.307

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@H]3O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3O)cc1

InChI

InChI=1S/C36H49ClO9/c1-11-42-24-15-12-21(13-16-24)18-23-19-22(14-17-25(23)37)28-27(38)30(46-33(41)36(8,9)10)29(45-32(40)35(5,6)7)26(44-28)20-43-31(39)34(2,3)4/h12-17,19,26-30,38H,11,18,20H2,1-10H3/t26-,27+,28-,29-,30-/m1/s1

IUPAC

[(2R,3R,4R,5S,6R)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4-bis(2,2-dimethylpropanoyloxy)-5-hydroxyoxan-2-yl]methyl 2,2-dimethylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat