TES, Free Acid
Chemical Information
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid is a Good's buffer substance, pKa = 7.5 at 20 C. It is a member of ethanolamines, an amino sulfonic acid and a TES. It is functionally related to a taurine. It is a tautomer of a N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate.
| CAS Number | 7365-44-8 |
| PubChem CID | 81831 |
| IUPAC Name | 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid |
| Molecular Formula | C6H15NO6S |
| Molecular Weight | 229.25 |
| XLogP | -5.8 |
| Topological Polar Surface Area | 135 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 233 |
| Property | Value |
|---|---|
| Molecular Weight | 229.25 |
| XLogP3 | -5.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 229.06200837 |
| Monoisotopic Mass | 229.06200837 |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 233 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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