Analyte Name

Desmethyl GTP Disodium Salt

CAS Number

104809-18-9

Molecular Formula

C11H18N5O14P3.2Na

Molecular Weight

583.19

Accurate Mass

582.99

SMILES

C[N+]1=CN(C(NC(N)=N2)=C1C2=O)[C@@H]3O[C@H](COP(OP(OP(O)(O)=O)(O)=O)([O-])=O)[C@@H](O)[C@H]3O.[Na].[Na]

InChI

InChI=1S/C11H18N5O14P3.2Na/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22;;/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26);;/t4-,6-,7-,10-;;/m1../s1

IUPAC

2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(((((hydroxy(phosphonooxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-2-yl)-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium, disodium salt

Alternate CAS Number

26554-26-7

Country of Origin

CANADA

Product Format

Neat