[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [5-(6-azanyl-7H-purin-9-ium-9-yl)-3-[[5-(6-azanyl-7H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [5-(6-azanyl-7H-purin-9-ium-9-yl)-3-[[5-(6-azanyl-7H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl phosphate Openeye Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3-[[5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3-[[5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] phosphate IUPAC Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3-[[5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate Traditional Name: (5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl) [5-(6-amino-7H-purin-9-ium-9-yl)-3-[[5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C30H37N15O16P2 MolecularWeight: 925.653202

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)COP(=O)([O-])OC4C(OC(C4O)[N+]5=CNC6=C5N=CN=C6N)COP(=O)([O-])OC7C(OC(C7O)N8C=NC9=C8N=CN=C9N)CO)O)O

Isomeric SMILES

C1=[N+](C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)COP(=O)([O-])OC4C(OC(C4O)[N+]5=CNC6=C5N=CN=C6N)COP(=O)([O-])OC7C(OC(C7O)N8C=NC9=C8N=CN=C9N)CO)O)O

InChI

InChI=1S/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-50H,1-3H2,(H8,31,32,33,34,35,36,37,38,39,51,52,53,54)