Analyte Name

(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxy-N-methyl-N-((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)hept-6-enamide

CAS Number

2193053-71-1

Molecular Formula

C29 H43 F N4 O10 S

Molecular Weight

658.736

Accurate Mass

658.268

SMILES

CC(C)c1nc(nc(c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2ccc(F)cc2)N(C)S(=O)(=O)C

InChI

InChI=1S/C29H43FN4O10S/c1-16(2)25-21(26(17-6-8-18(30)9-7-17)32-29(31-25)34(4)45(5,43)44)11-10-19(36)12-20(37)13-24(40)33(3)14-22(38)27(41)28(42)23(39)15-35/h6-11,16,19-20,22-23,27-28,35-39,41-42H,12-15H2,1-5H3/b11-10+/t19-,20-,22+,23-,27-,28-/m1/s1

IUPAC

(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxy-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hept-6-enamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat