Analyte Name

2'-O-(5'-Deoxy-beta-D-ribofuranosyl) Capecitabine-d11

Molecular Formula

C20 D11 H19 F N3 O9

Molecular Weight

486.533

Accurate Mass

486.266

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)C(O)[C@H]2O[C@@H]3O[C@H](C)C(O)C3O

InChI

InChI=1S/C20H30FN3O9/c1-4-5-6-7-30-20(29)23-16-11(21)8-24(19(28)22-16)17-15(13(26)10(3)31-17)33-18-14(27)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/i1D3,4D2,5D2,6D2,7D2

IUPAC

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

Unlabelled CAS Number

1262133-66-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat