Molecule ID: 5460422

IUPAC Name: (2R)-2-phosphonatooxy-3-sulfonatopropanoate

Description: The molecule is a quadruply-charged carboxyalkyl phosphate oxoanion resulting from global deprotonation of (2R)-O-phospho-3-sulfolactic acid. It derives from a (R)-lactate. It is a conjugate base of a (2R)-O-phospho-3-sulfolactic acid.

SMILES: O=C([O-])[C@H](CS(=O)(=O)[O-])OP(=O)([O-])[O-]

SELFIES: [O][=C][Branch1][C][O-1][C@H1][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C3H7O9PS/c4-3(5)2(1-14(9,10)11)12-13(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H,9,10,11)/p-4/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 178.0 Ų
- LogP: -2.6