Cholan-24-oic acid, 3,7,12-trioxo-, ion(1-), (5β)-, 1-carboxy-N,N,N-trimethylmethanaminium
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Cholan-24-oic acid, 3,7,12-trioxo-, ion(1-), (5β)-, 1-carboxy-N,N,N-trimethylmethanaminium
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CAS No:
18434-76-9
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Formula:
C24H33O5.C5H12NO2
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Chemical Name:
Cholan-24-oic acid, 3,7,12-trioxo-, ion(1-), (5β)-, 1-carboxy-N,N,N-trimethylmethanaminium
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Synonyms:
Cholan-24-oic acid,3,7,12-trioxo-,ion(1-),(5β)-,1-carboxy-N,N,N-trimethylmethanaminium;Ammonium,(carboxymethyl)trimethyl-,3,7,12-trioxocholan-24-oate;(Carboxymethyl)trimethylammonium dehydrocholate;5β-Cholan-24-oic acid,3,7,12-trioxo-,ion(1-),(carboxymethyl)trimethylammonium;Betaine dehydrocholate
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CAS No:
Cholan-24-oic acid, 3,7,12-trioxo-, ion(1-), (5β)-, 1-carboxy-N,N,N-trimethylmethanaminium Basic Attributes
519.6701
519.32
242-312-1
Computed Properties
Molecular Weight:519.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:519.31960277
Monoisotopic Mass:519.31960277
Topological Polar Surface Area:129
Heavy Atom Count:37
Complexity:844
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Cholan-24-oic acid, 3,7,12-trioxo-, ion(1-), (5β)-, 1-carboxy-N,N,N-trimethylmethanaminium
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