Molecule ID: 134820109

IUPAC Name: (2R,3R,4S,5R)-2-(4-amino-1H-imidazol-3-ium-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Description: The molecule is an imidazolium ion resulting from the protonation of the 3-position of the imidazole moiety of 5-aminoimidazole ribonucleoside. The major species at pH 7.3. It is a conjugate acid of a 5-aminoimidazole ribonucleoside.

SMILES: [NH3+]c1cncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

SELFIES: [NH3+1][C][=C][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]

InChI: InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/p+1/t4-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: -1.8