azanium [2-(6-aminopurin-9-yl)oxy-1-oxidanyl-ethoxy]methylphosphonic acid

Systemtic Name: azanium [2-(6-aminopurin-9-yl)oxy-1-oxidanyl-ethoxy]methylphosphonic acid Openeye Name: ammonium [2-(6-aminopurin-9-yl)oxy-1-hydroxy-ethoxy]methylphosphonic acid CAS Name: ammonium [2-(6-aminopurin-9-yl)oxy-1-hydroxyethoxy]methylphosphonic acid IUPAC Name: azanium [2-(6-aminopurin-9-yl)oxy-1-hydroxyethoxy]methylphosphonic acid Traditional Name: ammonium (2-adenin-9-yloxy-1-hydroxy-ethoxy)methylphosphonic acid Formula: C8H16N6O6P+ MolecularWeight: 323.223001

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCC(O)OCP(=O)(O)O.[NH4+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCC(O)OCP(=O)(O)O.[NH4+]

InChI

InChI=1S/C8H12N5O6P.H3N/c9-7-6-8(11-2-10-7)13(3-12-6)19-1-5(14)18-4-20(15,16)17;/h2-3,5,14H,1,4H2,(H2,9,10,11)(H2,15,16,17);1H3/p+1