Analyte Name

((((2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl)methoxy-sodiooxyphosphoryl)oxy-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphosphoryl)oxysodium

CAS Number

15039-58-4

Molecular Formula

C15 H22 N2 Na2 O16 P2 S

Molecular Weight

626.331

Accurate Mass

625.996

SMILES

OC[C@H]1O[C@H](OP(=O)(O[Na])OP(=O)(O[Na])OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=S)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C15H24N2O16P2S.2Na/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)36;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,25,26)(H,27,28)(H,16,19,36);;/q;2*+1/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14-;;/m1../s1

IUPAC

[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-sodiooxyphosphoryl]oxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl]oxysodium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat