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

Systemtic Name: 3-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]propylphosphonic acid Openeye Name: 3-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]propylphosphonic acid CAS Name: 3-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]propylphosphonic acid IUPAC Name: 3-[4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]propylphosphonic acid Traditional Name: 3-(4-adenin-9-yl-3-methylol-oxetan-2-yl)propylphosphonic acid Formula: C12H18N5O5P MolecularWeight: 343.275581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N5O5P/c13-10-9-11(15-5-14-10)17(6-16-9)12-7(4-18)8(22-12)2-1-3-23(19,20)21/h5-8,12,18H,1-4H2,(H2,13,14,15)(H2,19,20,21)