Molecule ID: 443249

IUPAC Name: (2R)-2-phosphonooxy-3-sulfopropanoic acid

Description: The molecule is a carboxyalkyl phosphate and a carboxyalkanesulfonic acid. It derives from a rac-lactic acid. It is a conjugate acid of a (2R)-2-O-phosphonato-3-sulfonatolactate(4-).

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

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

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)/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -3.0