[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[oxidanidyl-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[oxidanidyl-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[oxido-[oxido(phosphonatooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-[[oxido-[oxido(phosphato)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate Formula: C10H11N5O20P5-7 MolecularWeight: 676.084645

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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-])OP(=O)([O-])OP(=O)([O-])[O-])O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])O)NC(=NC2=O)N

InChI

InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-7/t3-,5-,6-,9-/m1/s1