Clindamycin 2-Phosphate-3-acetate

Analyte Name

Clindamycin 2-Phosphate-3-acetate

Molecular Formula

C21 H38 Cl N2 O8 P S

Molecular Weight

545.027

Accurate Mass

544.178

SMILES

CCC[C@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2C[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](OC(=O)C)[C@H]2O

InChI

InChI=1S/C21H38ClN2O8PS/c1-6-7-13-8-15(24(4)10-13)21(27)23-17(11(2)22)14-9-16(34-5)19(32-33(28,29)30)20(18(14)26)31-12(3)25/h11,13-20,26H,6-10H2,1-5H3,(H,23,27)(H2,28,29,30)/t11-,13-,14+,15-,16-,17+,18-,19-,20-/m0/s1

IUPAC

[(1S,2S,3R,5S,6R)-3-[(1S,2S)-2-chloro-1-[[(2S,4S)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-2-hydroxy-5-methylsulfanyl-6-phosphonooxycyclohexyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat