Analyte Name

3'(6')-Dehydroclindamycin Phosphate Ammonium Salt

Molecular Formula

C18H32ClN2O7PS.xNH3

Molecular Weight

519.9

SMILES

CS[C@@H]1[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H](Cl)C)NC([C@H]2N(C)C/C(C2)=C\CC)=O)O1.[NH3]

InChI

InChI=1S/C18H32ClN2O7PS.H3N/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(29(25,26)27)18(28-15)30-4;/h6,9,11-16,18,22-23H,5,7-8H2,1-4H3,(H,20,24)(H2,25,26,27);1H3/b10-6-;/t9-,11-,12+,13+,14-,15+,16?,18+;/m0./s1

IUPAC

ammonium ((2R,3R,4S,5R,6R)-6-((1S,2S)-2-chloro-1-((S,Z)-1-methyl-4-propylidenepyrrolidine-2-carboxamido)propyl)-4,5-dihydroxy-2-(methylthio)tetrahydro-2H-pyran-3-yl)phosphonic acid

Alternate CAS Number

1309349-64-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat