Taurochenodeoxycholic acid 3-sulfate
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Taurochenodeoxycholic acid 3-sulfate
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CAS No:
67030-59-5
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Formula:
C26H45NO9S2
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Chemical Name:
Taurochenodeoxycholic acid 3-sulfate
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Synonyms:
Ethanesulfonic acid,2-[[(3α,5β,7α)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-;Cholane,ethanesulfonic acid deriv.;2-[[(3α,5β,7α)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]ethanesulfonic acid;Taurochenodeoxycholic acid 3-sulfate;Taurochenodeoxycholic acid 3α-sulfate
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CAS No:
Computed Properties
Molecular Weight:579.8
XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:579.25357436
Monoisotopic Mass:579.25357436
Topological Polar Surface Area:184
Heavy Atom Count:38
Complexity:1090
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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