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

Systemtic Name: 2-[5-(6-aminopurin-9-yl)-4-nitro-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-nitro-tetrahydrofuran-2-yl]-2-hydroxy-acetic acid CAS Name: 2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-nitro-2-oxolanyl]-2-hydroxyacetic acid IUPAC Name: 2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-nitrooxolan-2-yl]-2-hydroxyacetic acid Traditional Name: 2-(5-adenin-9-yl-3,4-dihydroxy-4-nitro-tetrahydrofuran-2-yl)-2-hydroxy-acetic acid Formula: C11H12N6O8 MolecularWeight: 356.24838

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(C(=O)O)O)O)([N+](=O)[O-])O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(C(=O)O)O)O)([N+](=O)[O-])O

InChI

InChI=1S/C11H12N6O8/c12-7-3-8(14-1-13-7)16(2-15-3)10-11(22,17(23)24)6(19)5(25-10)4(18)9(20)21/h1-2,4-6,10,18-19,22H,(H,20,21)(H2,12,13,14)