[[(2R,3R,4R,5R)-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3R,4R,5R)-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxy-2-oxolanyl]methoxy]phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C17H25N5O17P3+ MolecularWeight: 664.324983

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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)OCC5C(C(C(O5)O)O)O)O)OP(=O)(O)O

Isomeric SMILES

C1=C[N+]2=C(N1)C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O

InChI

InChI=1S/C17H24N5O17P3/c23-10-7(37-17(26)12(10)25)3-34-41(30,31)39-42(32,33)35-4-8-11(24)13(38-40(27,28)29)16(36-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-26H,3-4H2,(H4,27,28,29,30,31,32,33)/p+1/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1