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

Systemtic Name: [[5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C12H17N5O13P3+ MolecularWeight: 532.210363

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+]2=C(N1)C3=C(N=C2)N(C=N3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=C[N+]2=C(N1)C3=C(N=C2)N(C=N3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C12H16N5O13P3/c18-8-6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-12(9(8)19)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-19H,3H2,(H4,20,21,22,23,24,25,26)/p+1