(2R,3R,4S,5R,6R)-6-((1S,2S)-2-Chloro-1-((S)-1-methyl-4-propylidenepyrrolidine-2-carboxamido)propyl)-4,5-dihydroxy-2-(methylthio)tetrahydro-2H-pyran-3-yl Dihydrogen Phosphate

Analyte Name

(2R,3R,4S,5R,6R)-6-((1S,2S)-2-Chloro-1-((S)-1-methyl-4-propylidenepyrrolidine-2-carboxamido)propyl)-4,5-dihydroxy-2-(methylthio)tetrahydro-2H-pyran-3-yl Dihydrogen Phosphate

Molecular Formula

C18 H32 Cl N2 O8 P S

Molecular Weight

502.947

Accurate Mass

502.131

SMILES

CC\C=C/1\C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O

InChI

InChI=1S/C18H32ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h6,9,11-16,18,22-23H,5,7-8H2,1-4H3,(H,20,24)(H2,25,26,27)/b10-6-/t9-,11-,12+,13+,14-,15+,16+,18+/m0/s1

IUPAC

[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4Z)-1-methyl-4-propylidenepyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)