((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate Sodium Salt

Analyte Name

((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate Sodium Salt

Molecular Formula

C17 H22 F N8 O6 P S

Molecular Weight

516.444

Accurate Mass

516.11

SMILES

C[C@H](Cn1cnc2c(N)ncnc12)OCP(=O)(O)OC[C@@H]3O[C@@H](CS3)N4C=C(F)C(=NC4=O)N

InChI

InChI=1S/C17H22FN8O6PS/c1-9(2-25-7-23-13-15(20)21-6-22-16(13)25)30-8-33(28,29)31-4-12-32-11(5-34-12)26-3-10(18)14(19)24-17(26)27/h3,6-7,9,11-12H,2,4-5,8H2,1H3,(H,28,29)(H2,19,24,27)(H2,20,21,22)/t9-,11+,12-/m1/s1

Alternate CAS Number

1962114-95-9

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat