[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(1R,2R,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(1R,2R,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphate Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(1R,2R,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(1R,2R,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-oxidophosphoryl]oxy-3-hydroxy-2-oxolanyl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] phosphate IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(1R,2R,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-oxidophosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] phosphate Traditional Name: [(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(1R,2R,4R,5R)-4-adenin-9-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-oxido-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] phosphate Formula: C30H33N15O15P2-2 MolecularWeight: 905.622042

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C4C(O4)C(O3)COP(=O)([O-])OC5C(C(OC5N6C=NC7=C6N=CN=C7N)COP(=O)([O-])OC8C(C(OC8N9C=NC1=C9N=CN=C1N)CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]4[C@H](O4)[C@H](O3)COP(=O)([O-])O[C@@H]5[C@@H]([C@H](O[C@H]5N6C=NC7=C6N=CN=C7N)COP(=O)([O-])O[C@@H]8[C@@H]([C@H](O[C@H]8N9C=NC1=C9N=CN=C1N)CO)O)O

InChI

InChI=1S/C30H35N15O15P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(16(47)10(1-46)55-28)59-61(49,50)53-2-11-17(48)20(29(56-11)44-8-41-14-23(32)35-5-38-26(14)44)60-62(51,52)54-3-12-18-21(58-18)30(57-12)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-48H,1-3H2,(H,49,50)(H,51,52)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)/p-2/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1