Analyte Name

3'-(2,2,2-Trifluoroacetate) 2'-Deoxy-2',2'-difluoro-N-(2,2,2-trifluoroacetyl)-5'-cytidylic Acid

CAS Number

1035495-82-9

Molecular Formula

C15 H9 F11 N3 O10 P

Molecular Weight

631.202

Accurate Mass

630.985

SMILES

OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)NC(=O)C(F)(F)F)C(F)(F)[C@@H]1OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C15H9F11N3O10P/c16-12(17)6(38-9(31)14(21,22)23)4(3-36-40(34,35)39-10(32)15(24,25)26)37-8(12)29-2-1-5(28-11(29)33)27-7(30)13(18,19)20/h1-2,4,6,8H,3H2,(H,34,35)(H,27,28,30,33)/t4-,6-,8-/m1/s1

IUPAC

[(2R,3R,5R)-4,4-difluoro-2-[[hydroxy-(2,2,2-trifluoroacetyl)oxyphosphoryl]oxymethyl]-5-[2-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrimidin-1-yl]oxolan-3-yl] 2,2,2-trifluoroacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat