[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]methyl]phosphinate; tributylazanium

Systemtic Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]methyl]phosphinate; tributylazanium Openeye Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]methyl]phosphinate; tributylammonium CAS Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate; tributylammonium IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[bis[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate; tributylazanium Traditional Name: [[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-[bis[[[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]methyl]phosphinate; tributylammonium Formula: C103H205N21O24P6 MolecularWeight: 2307.698666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.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

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.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/C31H43N15O24P6.6C12H27N/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;6*1-4-7-10-13(11-8-5-2)12-9-6-3/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);6*4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+,21+;;;;;;/m0....../s1