Molecule ID: 440324

IUPAC Name: S-methyl (2R)-2-hydroxy-3-phosphonooxypropanethioate

Description: The molecule is the methyl thiolester of 3-phospho-1-thio-D-glyceric acid. It is a carbohydrate acid ester, an aldonate ester phosphate and a thioester. It is a conjugate acid of a S-methyl 3-O-phosphonato-1-thio-D-glycerate(2-).

SMILES: CSC(=O)[C@H](O)COP(=O)(O)O

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

InChI: InChI=1S/C4H9O6PS/c1-12-4(6)3(5)2-10-11(7,8)9/h3,5H,2H2,1H3,(H2,7,8,9)/t3-/m1/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.7