2-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]ethylphosphonic acid

Systemtic Name: 2-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]ethylphosphonic acid Openeye Name: 2-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]ethylphosphonic acid CAS Name: 2-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]ethylphosphonic acid IUPAC Name: 2-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]ethylphosphonic acid Traditional Name: 2-(4-adenin-9-yl-3-methylol-oxetan-2-yl)ethylphosphonic acid Formula: C11H16N5O5P MolecularWeight: 329.249001

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(O3)CCP(=O)(O)O)CO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(O3)CCP(=O)(O)O)CO

InChI

InChI=1S/C11H16N5O5P/c12-9-8-10(14-4-13-9)16(5-15-8)11-6(3-17)7(21-11)1-2-22(18,19)20/h4-7,11,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)