azanium [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethoxymethylphosphonic acid

Systemtic Name: azanium [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethoxymethylphosphonic acid Openeye Name: ammonium [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxymethoxymethylphosphonic acid CAS Name: ammonium [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]oxymethoxymethylphosphonic acid IUPAC Name: azanium [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxymethoxymethylphosphonic acid Traditional Name: ammonium (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)oxymethoxymethylphosphonic acid Formula: C11H20N6O8P+ MolecularWeight: 395.285661

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)OCOCP(=O)(O)O)O)O.[NH4+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)OCOCP(=O)(O)O)O)O.[NH4+]

InChI

InChI=1S/C11H16N5O8P.H3N/c12-8-5-9(14-1-13-8)16(2-15-5)10-6(17)7(18)11(24-10)23-3-22-4-25(19,20)21;/h1-2,6-7,10-11,17-18H,3-4H2,(H2,12,13,14)(H2,19,20,21);1H3/p+1