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

Systemtic Name: [[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phenylmethoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-benzyloxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phenylmethoxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phenylmethoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(2R,3R,4R,5R)-5-adenin-9-yl-4-benzoxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3R,4S,5S)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C27H34N10O19P4 MolecularWeight: 926.509504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(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)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CO[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)O)O)O

InChI

InChI=1S/C27H34N10O19P4/c28-22-16-24(32-9-30-22)36(11-34-16)26-20(40)18(38)14(52-26)7-50-57(41,42)54-59(45,46)56-60(47,48)55-58(43,44)51-8-15-19(39)21(49-6-13-4-2-1-3-5-13)27(53-15)37-12-35-17-23(29)31-10-33-25(17)37/h1-5,9-12,14-15,18-21,26-27,38-40H,6-8H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,28,30,32)(H2,29,31,33)/t14-,15-,18+,19-,20+,21-,26+,27-/m1/s1