[(2R,3R,4R,5R)-4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3a,4,6a-trimethyl-2-oxidanyl-2-oxidanylidene-6H-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(6-aminopurin-9-yl)-3,4,5-trimethyl-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2,3,4-trimethyl-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3a,4,6a-trimethyl-2-oxidanyl-2-oxidanylidene-6H-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(6-aminopurin-9-yl)-3,4,5-trimethyl-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2,3,4-trimethyl-4-oxidanyl-oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-3a,4,6a-trimethyl-2-oxo-6H-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxy-phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxy-3,4,5-trimethyl-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-2,3,4-trimethyl-tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3R,4R,5R)-4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-3a,4,6a-trimethyl-2-oxo-6H-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxy-3,4,5-trimethyl-2-oxolanyl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-2,3,4-trimethyl-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-3a,4,6a-trimethyl-2-oxo-6H-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxy-3,4,5-trimethyloxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-2,3,4-trimethyloxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-4-[[(3aR,4R,6R,6aR)-4-adenin-9-yl-2-hydroxy-2-keto-3a,4,6a-trimethyl-6H-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxy-phosphoryl]oxy-5-adenin-9-yl-3-hydroxy-3,4,5-trimethyl-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-2,3,4-trimethyl-5-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C39H54N15O18P3 MolecularWeight: 1113.857043

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(C1(C)OP(=O)(O)OCC2C(C(C(O2)(C)N3C=NC4=C3N=CN=C4N)(C)OP(=O)(O)OCC5C6(C(C(O5)(C)N7C=NC8=C7N=CN=C8N)(OP(=O)(O6)O)C)C)(C)O)(C)N9C=NC1=C9N=CN=C1N)CO)O

Isomeric SMILES

C[C@]1([C@H](O[C@@]([C@]1(C)OP(=O)(O)OC[C@@H]2[C@@]([C@@]([C@](O2)(C)N3C=NC4=C3N=CN=C4N)(C)OP(=O)(O)OC[C@@H]5[C@@]6([C@]([C@](O5)(C)N7C=NC8=C7N=CN=C8N)(OP(=O)(O6)O)C)C)(C)O)(C)N9C=NC1=C9N=CN=C1N)CO)O

InChI

InChI=1S/C39H54N15O18P3/c1-31(56)19(10-55)66-37(7,52-16-49-22-25(40)43-13-46-28(22)52)34(31,4)70-73(58,59)64-11-20-32(2,57)35(5,38(8,67-20)53-17-50-23-26(41)44-14-47-29(23)53)71-74(60,61)65-12-21-33(3)36(6,72-75(62,63)69-33)39(9,68-21)54-18-51-24-27(42)45-15-48-30(24)54/h13-21,55-57H,10-12H2,1-9H3,(H,58,59)(H,60,61)(H,62,63)(H2,40,43,46)(H2,41,44,47)(H2,42,45,48)/t19-,20-,21-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m1/s1