Molecule ID: 10491490

IUPAC Name: (2R)-2-amino-3-[(1R,2S)-2-hydroxy-1-phosphonopropyl]sulfanylpropanoic acid

Description: The molecule is an L-cysteine thioether in which the thiol hydrogen is replaced by a (1R,2S)-2-hydroxy-1-phosphonopropyl group It is a L-cysteine thioether, a member of phosphonic acids and a secondary alcohol. It is a conjugate acid of a (1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate(2-).

SMILES: C[C@H](O)[C@@H](SC[C@H](N)C(=O)O)P(=O)(O)O

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

InChI: InChI=1S/C6H14NO6PS/c1-3(8)6(14(11,12)13)15-2-4(7)5(9)10/h3-4,6,8H,2,7H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: -4.6