[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphinic acid

Systemtic Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphinic acid Openeye Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphinic acid CAS Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphinic acid IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphinic acid Traditional Name: [[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphinic acid Formula: C31H43N15O24P6 MolecularWeight: 1195.601786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6N)O)P(=O)(O)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8N=CN=C9N)O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6N)O)P(=O)(O)OP(=O)(O)OC[C@@H]7[C@H](C[C@@H](O7)N8C=NC9=C8N=CN=C9N)O)O)O

InChI

InChI=1S/C31H43N15O24P6/c32-25-22-28(38-7-35-25)44(10-41-22)19-1-13(47)16(65-19)4-62-74(56,57)68-71(50,51)31(72(52,53)69-75(58,59)63-5-17-14(48)2-20(66-17)45-11-42-23-26(33)36-8-39-29(23)45)73(54,55)70-76(60,61)64-6-18-15(49)3-21(67-18)46-12-43-24-27(34)37-9-40-30(24)46/h7-21,31,47-49H,1-6H2,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H2,32,35,38)(H2,33,36,39)(H2,34,37,40)/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m0/s1