[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C30H35N15O18P3-3 MolecularWeight: 986.609883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COP(=O)([O-])OC4C(C(OC4N5C=NC6=C5N=CN=C6N)COP(=O)([O-])OC7C(C(OC7N8C=NC9=C8N=CN=C9N)COP(=O)(O)[O-])O)O

Isomeric SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)COP(=O)([O-])O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5N=CN=C6N)COP(=O)([O-])O[C@@H]7[C@@H]([C@H](O[C@H]7N8C=NC9=C8N=CN=C9N)COP(=O)(O)[O-])O)O

InChI

InChI=1S/C30H38N15O18P3/c31-22-15-25(37-5-34-22)43(8-40-15)28-12(46)1-11(59-28)2-57-65(52,53)62-21-19(48)14(61-30(21)45-10-42-17-24(33)36-7-39-27(17)45)4-58-66(54,55)63-20-18(47)13(3-56-64(49,50)51)60-29(20)44-9-41-16-23(32)35-6-38-26(16)44/h5-14,18-21,28-30,46-48H,1-4H2,(H,52,53)(H,54,55)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,49,50,51)/p-3/t11-,12+,13+,14+,18+,19+,20+,21+,28+,29+,30+/m0/s1