5-azanyl-1-[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]imidazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]imidazole-4-carboxylic acid Openeye Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)imidazole-4-carboxylic acid CAS Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphono-2-oxanyl)-4-imidazolecarboxylic acid IUPAC Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphonooxan-2-yl)imidazole-4-carboxylic acid Traditional Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)imidazole-4-carboxylic acid Formula: C9H14N3O9P MolecularWeight: 339.195921

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1C2C(C(C(C(O2)P(=O)(O)O)O)O)O)N)C(=O)O

Isomeric SMILES

C1=NC(=C(N1C2C(C(C(C(O2)P(=O)(O)O)O)O)O)N)C(=O)O

InChI

InChI=1S/C9H14N3O9P/c10-6-2(8(16)17)11-1-12(6)7-4(14)3(13)5(15)9(21-7)22(18,19)20/h1,3-5,7,9,13-15H,10H2,(H,16,17)(H2,18,19,20)