Analyte Name

N-Propenyl Clindamycin Phosphate-D3

Molecular Formula

C18 D3 H30 N2 O8 P S

Molecular Weight

471.521

Accurate Mass

471.188

SMILES

[2H]C([2H])([2H])N1C[C@H](CCC)C[C@H]1C(=O)N\C(=C\C)\[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O

InChI

InChI=1S/C18H33N2O8PS/c1-5-7-10-8-12(20(3)9-10)17(23)19-11(6-2)15-13(21)14(22)16(18(27-15)30-4)28-29(24,25)26/h6,10,12-16,18,21-22H,5,7-9H2,1-4H3,(H,19,23)(H2,24,25,26)/b11-6+/t10-,12+,13-,14+,15-,16-,18-/m1/s1/i3D3

IUPAC

[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-methylsulfanyl-6-[(E)-1-[[(2S,4R)-4-propyl-1-(trideuteriomethyl)pyrrolidine-2-carbonyl]amino]prop-1-enyl]oxan-3-yl] dihydrogen phosphate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat