Taurocholic acid 3-sulfate
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Taurocholic acid 3-sulfate
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CAS No:
67030-62-0
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Formula:
C26H45NO10S2
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Chemical Name:
Taurocholic acid 3-sulfate
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Synonyms:
Ethanesulfonic acid,2-[[(3α,5β,7α,12α)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-;Cholane,ethanesulfonic acid deriv.;2-[[(3α,5β,7α,12α)-7,12-Dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]ethanesulfonic acid;3-Sulfocholyltaurine;Taurocholic acid 3-sulfate;Taurocholic acid 3α-sulfate;2-[[(3a,5b,7a,12a)-7,12-Dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]ethanesulfonic acid
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CAS No:
Taurocholic acid 3-sulfate Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Sulfates [ST0502]
Computed Properties
Molecular Weight:595.8
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:595.24848898
Monoisotopic Mass:595.24848898
Topological Polar Surface Area:204
Heavy Atom Count:39
Complexity:1120
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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