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

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For Research Use Only | Not For Clinical Use
CATAPS1262133685
CAS1262133-68-5
Structure
IUPAC Namepentyl N-[1-[(2R,3R,4S,5R)-4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3-hydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Molecular Weight475.47
Molecular FormulaC20H30FN3O9
Canonical SMILESCCCCCOC(=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
InChIInChI=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
Accurate Mass475.1966
FormatNeat
TypeImpurity
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