Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate

calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate

Also Known As: Pantoyltaurine|D-(-)-Pantoyltaurine, calcium salt|EINECS 272-966-3|calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate|Ethanesulfonic acid, 2-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt|Calcium 2-(4-hydroxy-3,3-dimethyl-2-oxidobutanamido)ethane-1-sulfonate|Calcium bis[(R)-2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]ethane-1-sulphonate]|Ethanesulfonic acid, 2-(((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt|Ethanesulfonic acid, 2-(((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (1:?)|Ethanesulfonic acid, 2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt, (R)-

Molecular Formula	C8H15CaNO6S
Molecular Weight	293.0246 g/mol
LogP	-2.99
Topological Polar Surface Area	129.59 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	293.0246
Heavy Atoms	17
Complexity	341.9

Chemical Identifiers

CAS Number	70916-31-3
SMILES	CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])[O-].[Ca+2]