[(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(phenylcarbonyloxy)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(phenylcarbonyloxy)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate Openeye Name: [(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-benzoyloxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-benzoyloxy-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] ester IUPAC Name: [(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-benzoyloxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5R)-2-adenin-9-yl-5-[[[[[[(2R,3R,4R,5R)-5-adenin-9-yl-4-benzoyloxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C34H36N10O21P4 MolecularWeight: 1044.599084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(OC2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C6N=CN=C7N)OC(=O)C8=CC=CC=C8)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@@H]([C@@H]([C@H](O5)N6C=NC7=C6N=CN=C7N)OC(=O)C8=CC=CC=C8)O)O

InChI

InChI=1S/C34H36N10O21P4/c35-27-21-29(39-13-37-27)43(15-41-21)31-25(61-33(47)17-7-3-1-4-8-17)23(45)19(59-31)11-57-66(49,50)63-68(53,54)65-69(55,56)64-67(51,52)58-12-20-24(46)26(62-34(48)18-9-5-2-6-10-18)32(60-20)44-16-42-22-28(36)38-14-40-30(22)44/h1-10,13-16,19-20,23-26,31-32,45-46H,11-12H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H2,35,37,39)(H2,36,38,40)/t19-,20-,23-,24+,25-,26+,31-,32+/m1/s1