[[(3R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-5-oxidanylidene-pentoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(3R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-5-oxidanylidene-pentoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(3R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-5-oxo-pentoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(3R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-5-oxopentoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(3R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-5-oxopentoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(3R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-5-keto-pentoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H16N5O13P3 MolecularWeight: 507.181023

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(=O)CC(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C(=O)C[C@@H](CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(18)14-10)12-4-15(8)6(17)3-5(16)1-2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-5,16H,1-3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t5-/m1/s1