Deshydroxy 2-Acetoxymethyl-3,4,5-triyl Triacetate Dapagliflozin-D5

Analyte Name

Deshydroxy 2-Acetoxymethyl-3,4,5-triyl Triacetate Dapagliflozin-D5

Molecular Formula

C29 D5 H28 Cl O10

Molecular Weight

582.05

Accurate Mass

581.208

SMILES

[2H]C([2H])([2H])C([2H])([2H])Oc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)cc1

InChI

InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1/i1D3,6D2

IUPAC

[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]methyl]phenyl]oxan-2-yl]methyl acetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat