[[5-[6-azanyl-1-[3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-[6-azanyl-1-[3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-[6-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-1-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-[6-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-9-purin-1-iumyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-[6-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-ium-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-[6-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-1-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C15H26N5O20P4+ MolecularWeight: 720.283484

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C[N+](=C2N)C4C(C(C(O4)COP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C[N+](=C2N)C4C(C(C(O4)COP(=O)(O)O)O)O

InChI

InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H6,25,26,27,28,29,30,31,32,33,34)/p+1