Molecular Identity
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid
PubChem CID: 81831
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.
2D Structure
Properties
C6H15NO6S
Molecular Formula
229.25
Molecular Weight
g/mol
229.0620
Exact Mass
Da
-5.8
XLogP
Drug-like (Lipinski: < 5)
135
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
7
H-Bond Acceptors
233
Complexity
SMILES
Canonical SMILES
SMILES: C(CS(=O)(=O)O)NC(CO)(CO)COIsomeric SMILES
SMILES: C(CS(=O)(=O)O)NC(CO)(CO)COSynonyms(20)
7365-44-8N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acidCHEBI:44356ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-L173DK6289Ethanesulfonic acid, 2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)-2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]ethanesulfonic acid2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}ethanesulfonic acidN-Tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)ethanesulfonic acid2-[(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]ethanesulfonic acidRefChem:831204230-906-3TESTES buffer
Data from PubChem (NCBI)
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Molecular Structure
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
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Drug Network
Trials and conditions connected to N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
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