3’-O-(5’-Deoxy-Beta-D-ribofuranosyl) Capecitabine

Analyte Name

3'-O-(5'-Deoxy-beta-D-ribofuranosyl) Capecitabine

CAS Number

1262133-64-1

Molecular Formula

C20 H30 F N3 O9

Molecular Weight

475.47

Accurate Mass

475.1966

SMILES

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)[C@H]2O

InChI

InChI=1S/C20H30FN3O9/c1-4-5-6-7-30-20(29)23-16-11(21)8-24(19(28)22-16)17-14(27)15(10(3)31-17)33-18-13(26)12(25)9(2)32-18/h8-10,12-15,17-18,25-27H,4-7H2,1-3H3,(H,22,23,28,29)/t9-,10-,12-,13-,14-,15-,17-,18+/m1/s1

IUPAC

pentyl N-[1-[(2R,3R,4S,5R)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3-hydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Capecitabine

Purity

>95% (HPLC)