Molecule ID: 92751

IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid

Description: The molecule is a nucleoside formed by attaching orotic acid to a ribose ring via a beta-N(1)-glycosidic bond. It has a role as a bacterial metabolite, a fungal metabolite and a plant metabolite. It is a pyrimidinemonocarboxylic acid, a member of uridines and a nucleoside.

SMILES: O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

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

InChI: InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 157.0 Ų
- LogP: -2.6