2-[[(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate
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2-[[(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate
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CAS No:
115586-21-5
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Formula:
C9H20N2O5S
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Chemical Name:
2-[[(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate
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Synonyms:
ST 561;ST-561;115586-21-5;ST 561;ST-561;DTXSID30921759;2-{[1,3-Dihydroxy-4-(trimethylazaniumyl)butylidene]amino}ethane-1-sulfonate
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CAS No:
2-[[(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate Basic Attributes
268.33 g/mol
268.10929292 g/mol
Computed Properties
Molecular Weight:268.33
XLogP3:-2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:268.10929292
Monoisotopic Mass:268.10929292
Topological Polar Surface Area:115
Heavy Atom Count:17
Complexity:328
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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