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

Systemtic Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-oxolanyl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3R,5S)-2-adenin-9-yl-5-[[[(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C30H38N15O17P3 MolecularWeight: 973.634303

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)OC4CC(OC4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OC7C(C(OC7N8C=NC9=C8N=CN=C9N)COP(=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]4C[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

InChI

InChI=1S/C30H38N15O17P3/c31-22-17-25(37-6-34-22)43(9-40-17)28-14(46)1-12(58-28)3-56-64(51,52)61-15-2-13(59-29(15)44-10-41-18-23(32)35-7-38-26(18)44)4-57-65(53,54)62-21-20(47)16(5-55-63(48,49)50)60-30(21)45-11-42-19-24(33)36-8-39-27(19)45/h6-16,20-21,28-30,46-47H,1-5H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,48,49,50)/t12-,13-,14+,15+,16+,20+,21+,28+,29+,30+/m0/s1