Analyte Name

Sodium ((2S,3S,5R)-3-((2-Ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl Phosphate

Molecular Formula

C16 H18 N3 Na2 O10 P

Molecular Weight

489.281

Accurate Mass

489.053

SMILES

CCOC1=C(N[C@H]2C[C@@H](O[C@@H]2COP(=O)(O[Na])O[Na])N3C=C(C)C(=O)NC3=O)C(=O)C1=O

InChI

InChI=1S/C16H20N3O10P.2Na/c1-3-27-14-11(12(20)13(14)21)17-8-4-10(29-9(8)6-28-30(24,25)26)19-5-7(2)15(22)18-16(19)23;;/h5,8-10,17H,3-4,6H2,1-2H3,(H,18,22,23)(H2,24,25,26);;/q;2*+1/p-2/t8-,9+,10+;;/m0../s1

IUPAC

[[(2S,3S,5R)-3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sodiooxyphosphoryl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat