Molecule ID: 146170814

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

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

SMILES: N=c1ccn(C2C(F)=C(COP(=O)([O-])O)[C@@H](O)[C@H]2O)c([O-])n1

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

InChI: InChI=1S/C10H13FN3O7P/c11-6-4(3-21-22(18,19)20)8(15)9(16)7(6)14-2-1-5(12)13-10(14)17/h1-2,7-9,15-16H,3H2,(H2,12,13,17)(H2,18,19,20)/p-2/t7?,8-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 172.0 Ų
- LogP: -4.9