[5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: [5-adenin-9-yl-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C10H19N5O22P6 MolecularWeight: 747.120726

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C10H19N5O22P6/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(33-41(25,26)37-43(29,30)35-39(20,21)22)4(32-10)1-31-40(23,24)36-42(27,28)34-38(17,18)19/h2-4,6-7,10,16H,1H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)