2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid
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![2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a455ef4d3e264025bf42c357cf609cc6.png "2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid")
2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid
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CAS No:
67460-69-9
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Formula:
C26H43NO7S
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Chemical Name:
2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid
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Synonyms:
Ethanesulfonic acid,2-[[(3α,5β,12α)-3,12-dihydroxy-7,24-dioxocholan-24-yl]amino]-;2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid;3α,12α-Dihydroxy-7-oxo-5β-taurocholan-24-oic acid;3α,12α-Dihydroxy-7-oxocholanoyltaurine
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CAS No:
2-[[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid Basic Attributes
513.7 g/mol
513.69
Computed Properties
Molecular Weight:513.7
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:513.27602388
Monoisotopic Mass:513.27602388
Topological Polar Surface Area:149
Heavy Atom Count:35
Complexity:933
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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