Analyte Name

(((2R,3S,4R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl)methoxy-((disodiooxyphosphoryl(difluoro)methyl)-sodiooxyphosphoryl)oxyphosphoryl)oxysodium

CAS Number

1657025-60-9

Molecular Formula

C10 H11 F2 N2 Na4 O13 P3 S

Molecular Weight

622.142

Accurate Mass

621.875

SMILES

O[C@H]1[C@@H](O)C(O[C@@H]1COP(=O)(O[Na])OP(=O)(O[Na])C(F)(F)P(=O)(O[Na])O[Na])N2C=CC(=S)NC2=O

InChI

InChI=1S/C10H15F2N2O13P3S.4Na/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17;;;;/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20);;;;/q;4*+1/p-4/t4-,6-,7-,8?;;;;/m1..../s1

IUPAC

[[(2R,3S,4R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-[[disodiooxyphosphoryl(difluoro)methyl]-sodiooxyphosphoryl]oxyphosphoryl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat