3-((3-deoxycholamidopropyl)dimethylammonio)-1-propane
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3-((3-deoxycholamidopropyl)dimethylammonio)-1-propane
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CAS No:
106679-03-2
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Formula:
C32H58N2O6S
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Chemical Name:
3-((3-deoxycholamidopropyl)dimethylammonio)-1-propane
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Synonyms:
3-((3-deoxycholamidopropyl)dimethylammonio)-1-propane;DCHAPS;DCHAPS sulfonate;DTXSID60910075;3-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-N,N-dimethyl-N-(3-sulfopropyl)-1-propanaminium hydroxide, inner salt;1-Propanaminium, 3-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt;3-(Dimethyl{3-[(7,12,24-trihydroxycholan-24-ylidene)amino]propyl}azaniumyl)propane-1-sulfonate
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CAS No:
Computed Properties
Molecular Weight:598.9
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:598.40155875
Monoisotopic Mass:598.40155875
Topological Polar Surface Area:135
Heavy Atom Count:41
Complexity:1000
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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