disodium [1-[(6-azanylpurin-1-yl)methoxy]-2-oxidanyl-ethoxy]methylphosphonic acid

Systemtic Name: disodium [1-[(6-azanylpurin-1-yl)methoxy]-2-oxidanyl-ethoxy]methylphosphonic acid Openeye Name: disodium [1-[(6-aminopurin-1-yl)methoxy]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: disodium [1-[(6-amino-1-purinyl)methoxy]-2-hydroxyethoxy]methylphosphonic acid IUPAC Name: disodium [1-[(6-aminopurin-1-yl)methoxy]-2-hydroxyethoxy]methylphosphonic acid Traditional Name: disodium [1-[(6-aminopurin-1-yl)methoxy]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C9H14N5Na2O6P+2 MolecularWeight: 365.190661

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N(C=NC2=N1)COC(CO)OCP(=O)(O)O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N(C=NC2=N1)COC(CO)OCP(=O)(O)O)N.[Na+].[Na+]

InChI

InChI=1S/C9H14N5O6P.2Na/c10-8-7-9(12-2-11-7)13-3-14(8)4-19-6(1-15)20-5-21(16,17)18;;/h2-3,6,15H,1,4-5,10H2,(H2,16,17,18);;/q;2*+1