3-[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]propanoic acid Openeye Name: 3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]propanoic acid CAS Name: 3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]propanoic acid IUPAC Name: 3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoic acid Traditional Name: 3-[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]propionic acid Formula: C12H14N4O6 MolecularWeight: 310.26276

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CCC(=O)O)O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CCC(=O)O)O)O

InChI

InChI=1S/C12H14N4O6/c17-6(18)2-1-5-8(19)9(20)12(22-5)16-4-15-7-10(16)13-3-14-11(7)21/h3-5,8-9,12,19-20H,1-2H2,(H,17,18)(H,13,14,21)