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

Systemtic Name: [(2S,3S,4R,5S)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [(2S,3S,4R,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [(2S,3S,4R,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [(2S,3S,4R,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: [(2S,3S,4R,5S)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate Formula: C10H17N5O17P4 MolecularWeight: 603.160324

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=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)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5+,6+,9-/m0/s1