[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(4-azidophenoxy)-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(4-azidophenoxy)-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(4-azidophenoxy)-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(4-azidophenoxy)-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(4-azidophenoxy)-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-2-[[[(4-azidophenoxy)-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C25H29N10O18P3 MolecularWeight: 850.475243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=[N+]=[N-])OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=O)NC6=O)O)O

Isomeric SMILES

C1=CC(=CC=C1N=[N+]=[N-])OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)O

InChI

InChI=1S/C25H29N10O18P3/c26-21-16-22(29-9-28-21)35(10-30-16)24-19(39)20(14(50-24)8-48-55(43,44)53-56(45,46)51-12-3-1-11(2-4-12)32-33-27)52-54(41,42)47-7-13-17(37)18(38)23(49-13)34-6-5-15(36)31-25(34)40/h1-6,9-10,13-14,17-20,23-24,37-39H,7-8H2,(H,41,42)(H,43,44)(H,45,46)(H2,26,28,29)(H,31,36,40)/t13-,14-,17-,18-,19-,20-,23-,24-/m1/s1