trisodium [[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: trisodium [[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: trisodium [[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: trisodium [[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: trisodium [(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-oxido-phosphoryl] phosphate Formula: C10H12N5Na3O9P2 MolecularWeight: 477.147212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H15N5O9P2.3Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19;;;/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19);;;/q;3*+1/p-3