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

Base Information

• Chemical Name: Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate
• CAS No.: 68921-90-4
• Molecular Formula: C8H17 N O6 S . x Ca
• Molecular Weight: 548.63948
• European Community (EC) Number: 272-966-3
• DSSTox Substance ID: DTXSID80276105
• Mol file: 68921-90-4.mol

Synonyms:calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate;68921-90-4;Ethanesulfonic acid, 2-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt;DTXSID80276105

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

Chemical Property:

• PSA: 270.28000
• LogP: -1.00220
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 293.0245992
• Heavy Atom Count: 17
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])[O-].[Ca+2]

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