Analytenname

Coenzyme A S-salicylate Trisodium Salt

Molekularformel

C28H37N7Na3O18P3S

Molekulargewicht

953.59

SMILES

O[C@H]1[C@@H](O[C@@H]([C@H]1OP(O)(O[Na])=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C2=C(C=CC=C2)O)=O)=O)=O)(O[Na])=O)(O[Na])=O)N3C4=NC=NC(N)=C4N=C3

InChI

InChI=1S/C28H40N7O18P3S.3Na/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35;;;/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44);;;/q;3*+1/p-3/t17-,20-,21-,22+,26-;;;/m1.../s1

IUPAC

trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxybenzoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

Herkunftsland

CANADA

Produktformat

Neat