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

Systemtic Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-fluoro-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3S,4S,5R)-5-adenin-9-yl-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C30H39FN15O24P5 MolecularWeight: 1167.583968

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OC7C(C(OC7N8C=NC9=C8N=CN=C9N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)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)OP(=O)(O)OP(=O)(O)O)O)F)O)O

InChI

InChI=1S/C30H39FN15O24P5/c31-13-10(1-61-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)46-9-43-16-24(34)37-6-40-27(16)46)64-29(45-8-42-15-23(33)36-5-39-26(15)45)20(13)67-72(53,54)62-2-11-17(47)19(49)28(65-11)44-7-41-14-22(32)35-4-38-25(14)44/h4-13,17-21,28-30,47-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,32,35,38)(H2,33,36,39)(H2,34,37,40)(H2,50,51,52)/t10-,11-,12-,13+,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1