[[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [(4-adenin-9-yl-1,3-dioxolan-2-yl)methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H14N5O12P3 MolecularWeight: 477.155043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C9H14N5O12P3/c10-8-7-9(12-3-11-8)14(4-13-7)5-1-22-6(24-5)2-23-28(18,19)26-29(20,21)25-27(15,16)17/h3-6H,1-2H2,(H,18,19)(H,20,21)(H2,10,11,12)(H2,15,16,17)