Coenzyme A, S-(4-bromo-2,3-dioxobutyl)-
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Coenzyme A, S-(4-bromo-2,3-dioxobutyl)-
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CAS No:
66686-64-4
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Formula:
C25H39BrN7O18P3S
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Chemical Name:
Coenzyme A, S-(4-bromo-2,3-dioxobutyl)-
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Synonyms:
4-bromo-2,3-dioxobutyl-coenzyme A;S-(4-bromo-2,3-dioxobutyl)-CoA;66686-64-4;S-(4-Bromo-2,3-dioxobutyl)-coa;4-Bromo-2,3-dioxobutyl-coenzyme A;DTXSID00985262;[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-[[3-[2-(4-bromo-2,3-dioxobutyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate;Coenzyme A, S-(4-bromo-2,3-dioxobutyl)-;S-(4-Bromo-2,3-dioxobutyl)-CoA; (Acyl-CoA); [M+H]+;;9-{5-O-[{[(4-{[3-({2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H
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CAS No:
Computed Properties
Molecular Weight:930.5
XLogP3:-5.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:23
Exact Mass:929.04685
Monoisotopic Mass:929.04685
Topological Polar Surface Area:406
Heavy Atom Count:55
Complexity:1520
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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