[2-(6-aminopurin-9-yl)-5-[[[[2-[1-(5-carbamoylpyridin-1-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Molecular Formula: C21H27N7O17P3+


InChI: InChI=1/C21H26N7O17P3/c22-18-15-20(25-9-24-18)28(10-26-15)21-17(44-46(33,34)35)16(31)13(43-21)8-41-48(38,39)45-47(36,37)40-7-12(5-29)42-14(6-30)27-3-1-2-11(4-27)19(23)32/h1-6,9-10,12-14,16-17,21,31H,7-8H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/fC21H27N7O17P3/h33-34,36,38H,22-23H2/q+1

InChIKey: InChIKey=VPYLECDBJZNETQ-CNSGQQAZCG
SMILES: C1=CC(=C[N+](=C1)C(C=O)OC(COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)OP(=O)(O)O)O)C=O)C(=O)N

Names:
    [2-(6-aminopurin-9-yl)-5-[[[[2-[1-(5-carbamoylpyridin-1-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 4112761
    PubChem ID 6039118