Molecule ID: 121513832

IUPAC Name: (2R,3R,3aS,5S,7R,7aS)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-7-phosphonooxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid

Description: The molecule is an N-glycosyl compound with formula C12H15N2O11P that is a common intermediate in the biosynthesis of nikkomycins and polyoxins by bacteria. It has a role as a bacterial metabolite. It is a N-glycosyl compound, a furopyran, a 5-hydroxy monocarboxylic acid, a secondary alcohol, a pyrimidone and a monoalkyl phosphate. It derives from a uridine 5'-monophosphate.

SMILES: O=C(O)[C@@H]1C[C@@H](OP(=O)(O)O)[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O1

SELFIES: [O][=C][Branch1][C][O][C@@H1][C][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C12H15N2O11P/c15-6-1-2-14(12(19)13-6)10-7(16)9-8(24-10)4(25-26(20,21)22)3-5(23-9)11(17)18/h1-2,4-5,7-10,16H,3H2,(H,17,18)(H,13,15,19)(H2,20,21,22)/t4-,5+,7-,8-,9+,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 192.0 Ų
- LogP: -3.6