Molecule ID: 3010410

IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Description: The molecule is a 5-fluorocytidine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.

SMILES: N=c1nc([O-])n([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)cc1F

SELFIES: [N][=C][N][=C][Branch1][C][O-1][N][Branch2][Ring1][Branch2][C@@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=C][Ring2][Ring1][Ring2][F]

InChI: InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 181.0 Ų
- LogP: -3.9