Analyte Name

5'-[Hydrogen P-(1-methyl-1H-imidazolium-3-yl)phosphonate] 3'-(2,2,2-triacetate) 2'-Deoxy-2',2'-difluoro-N-(2,2,2-trifluoroacetyl)cytidine

CAS Number

1035495-83-0

Molecular Formula

C17 H14 F8 N5 O8 P

Molecular Weight

599.283

Accurate Mass

599.045

SMILES

C[N+]1C=C[N](=C1)P(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=NC3=O)NC(=O)C(F)(F)F)C(F)(F)[C@@H]2OC(=O)C(F)(F)F

InChI

InChI=1S/C17H15F8N5O8P/c1-28-4-5-29(7-28)39(34,35)36-6-8-10(38-13(32)17(23,24)25)15(18,19)12(37-8)30-3-2-9(27-14(30)33)26-11(31)16(20,21)22/h2-5,7-8,10,12H,6H2,1H3,(H,34,35)(H,26,27,31,33)/q+1/p-1/t8-,10-,12-/m1/s1

IUPAC

[(2R,3R,5R)-4,4-difluoro-5-[2-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrimidin-1-yl]-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methoxy-(3-methylimidazol-1-yl)phosphinate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat