Molecule ID: 91825652

IUPAC Name: (2R)-2-azaniumyl-3-[(1R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanylpropanoate

Description: The molecule is an organophosphonate oxoanion obtained by deprotonation of the carboxy and phosphonate groups as well as protonation of the amino group of (1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate; major species at pH 7.3. It is an organophosphonate oxoanion and an alpha-amino-acid anion. It is a conjugate base of a (1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate.

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-1][P][=Branch1][C][=O][Branch1][C][O-1][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)/p-2/t3-,4-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 177.0 Ų
- LogP: -4.1