[[2-(6-aminopurin-9-yl)-5-[[oxidanidyl(phosphonatooxy)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[2-(6-aminopurin-9-yl)-5-[[oxidanidyl(phosphonatooxy)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[2-(6-aminopurin-9-yl)-4-hydroxy-5-[[oxido(phosphonatooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate CAS Name: [[2-(6-aminopurin-9-yl)-4-hydroxy-5-[[oxido(phosphonatooxy)phosphoryl]oxymethyl]-3-oxolanyl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[2-(6-aminopurin-9-yl)-4-hydroxy-5-[[oxido(phosphonatooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate Traditional Name: [[2-adenin-9-yl-4-hydroxy-5-[[oxido(phosphato)phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate Formula: C10H11N5O16P4-6 MolecularWeight: 581.113284

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)OP(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)OP(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(29-35(25,26)31-33(20,21)22)6(16)4(28-10)1-27-34(23,24)30-32(17,18)19/h2-4,6-7,10,16H,1H2,(H,23,24)(H,25,26)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/p-6