4'-C-(Chloromethyl)-2'-deoxy-2'-fluoro-cytidine 3',5'-Bis(2-methylpropanoate)-d3

Analyte Name

4'-C-(Chloromethyl)-2'-deoxy-2'-fluoro-cytidine 3',5'-Bis(2-methylpropanoate)-d3

Molecular Formula

C18 D3 H22 Cl F N3 O6

Molecular Weight

436.877

Accurate Mass

436.16

SMILES

[2H]C(OC(=O)C(C)C)[C@]1(O[C@H](C(F)C1OC(=O)C(C)C)N2C=CC(=NC2=O)N)C([2H])([2H])Cl

InChI

InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12?,13?,14-,18-/m1/s1/i7D2,8D/t8?,12?,13?,14-,18-

IUPAC

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[chloro(dideuterio)methyl]-2-[deuterio(2-methylpropanoyloxy)methyl]-4-fluorooxolan-3-yl] 2-methylpropanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat