Analyte Name

5'-Xanthylic Acid-13C5 Disodium Salt

Molecular Formula

13C5 C5 H11 N4 Na2 O9 P

Molecular Weight

413.132

Accurate Mass

413.023

SMILES

O[13C@H]1[13C@@H](O)[13C@@H](O[13C@@H]1[13CH2]OP(=O)(O[Na])O[Na])n2cnc3C(=O)NC(=O)Nc23

InChI

InChI=1S/C10H13N4O9P.2Na/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1/i1+1,3+1,5+1,6+1,9+1;;

IUPAC

[[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-sodiooxyphosphoryl]oxysodium

Unlabelled CAS Number

25899-70-1

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat