2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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![2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f5afbe959c0446029ec70e592daddd8a.png "2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid")
2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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CAS No:
142608-64-8
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Formula:
C26H45NO8S
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Chemical Name:
2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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Synonyms:
tauro 1-hydroxycholic acid;tauro-CA-1beta-ol;142608-64-8;Tauro-CA-1beta-ol;Tauro 1-hydroxycholic Acid;DTXSID60931543;1,3,7,14-Tetrahydroxy-N-(2-sulfoethyl)cholan-24-imidic acid;2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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CAS No:
2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid Basic Attributes
531.7 g/mol
531.28658857 g/mol
Computed Properties
Molecular Weight:531.7
XLogP3:1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:531.28658857
Monoisotopic Mass:531.28658857
Topological Polar Surface Area:173
Heavy Atom Count:36
Complexity:939
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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