[5-(6-aminopurin-9-yl)-2-(2H-oxet-2-yl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(2H-oxet-2-yl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(2H-oxet-2-yl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(2H-oxet-2-yl)-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(2H-oxet-2-yl)oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: [5-adenin-9-yl-4-hydroxy-2-(2H-oxet-2-yl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate Formula: C12H15N5O10P2 MolecularWeight: 451.222522

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=COC1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C12H15N5O10P2/c13-10-6-11(15-3-14-10)17(4-16-6)12-7(18)9(8(25-12)5-1-2-24-5)26-29(22,23)27-28(19,20)21/h1-5,7-9,12,18H,(H,22,23)(H2,13,14,15)(H2,19,20,21)