Deoxycholic acid 3-sulfate
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Deoxycholic acid 3-sulfate
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CAS No:
67030-48-2
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Formula:
C24H40O7S
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Chemical Name:
Deoxycholic acid 3-sulfate
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Synonyms:
Cholan-24-oic acid,12-hydroxy-3-(sulfooxy)-,(3α,5β,12α)-;(3α,5β,12α)-12-Hydroxy-3-(sulfooxy)cholan-24-oic acid;Deoxycholic acid 3-sulfate;69525-78-6
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CAS No:
Computed Properties
Molecular Weight:472.6
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:472.24947478
Monoisotopic Mass:472.24947478
Topological Polar Surface Area:130
Heavy Atom Count:32
Complexity:823
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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