Molecule ID: 146170905

IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl phosphate

Description: The molecule is a 4-thiouridin 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.

SMILES: O=c1nc(S)ccn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

SELFIES: [O][=C][N][=C][Branch1][C][S][C][=C][N][Ring1][#Branch1][C@@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@@H1][Branch1][C][O][C@H1][Ring1][N][O]

InChI: InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 187.0 Ų
- LogP: -3.2