Analyte Name

Trifluorothymidine-13C,15N2

CAS Number

2086328-10-9

Molecular Formula

C9¹³CH11F3¹⁵N2O5

Molecular Weight

299.18

Accurate Mass

299.06

SMILES

O[C@H]1C[C@@H](O[C@@H]1CO)[15N]([13C]([15NH]C2=O)=O)C=C2C(F)(F)F

InChI

InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1/i9+1,14+1,15+1

IUPAC

1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione-2-13C-1,3-15N2

Unlabelled CAS Number

70-00-8

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat