Molecule ID: 81831

IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid

Description: The molecule is a Good's buffer substance, pKa = 7.5 at 20 鈩? It is a member of ethanolamines, an amino sulfonic acid and a TES. It derives from a taurine. It is a tautomer of a N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate.

SMILES: O=S(=O)(O)CCNC(CO)(CO)CO

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][C][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O]

InChI: InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: -5.8