2’,3’-Di-O-acetyl-5’-deoxy-5-fluoro-N4-(pentoxycarbonxyl)cytidine

Analyte Name

2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-N4-(pentoxycarbonxyl)cytidine

CAS Number

162204-20-8

Molecular Formula

C19 H26 F N3 O8

Molecular Weight

443.42

Accurate Mass

443.1704

SMILES

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

InChI

InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1

IUPAC

[(2R,3R,4R,5R)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Capecitabine