Coenzyme A, S-(O-methyl carbono(dithioperoxoate))
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Coenzyme A, S-(O-methyl carbono(dithioperoxoate))
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CAS No:
72205-57-3
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Formula:
C23H38N7O18P3S2
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Chemical Name:
Coenzyme A, S-(O-methyl carbono(dithioperoxoate))
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Synonyms:
methoxycarbonyl CoA disulfide;methoxycarbonyl coenzyme A disulfide;methoxycarbonyl-coenzyme A disulfide;72205-57-3;Methoxycarbonyl-coenzyme A disulfide;Methoxycarbonyl coa disulfide;DTXSID20992933;Methoxycarbonyl coenzyme A disulfide;methyl [2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]formate;Coenzyme A, S-(O-methyl carbono(dithioperoxoate));Methoxycarbonyl CoA disulfide; (Acyl-CoA); [M+H]+;;9-{5-O-[Hydroxy({hydroxy[(9,13,14-trihydroxy-15,15-dimethyl-3-oxo-2-oxa-4,5-dithia-8,12-diazahexadeca-8,12-dien-16-yl)oxy]phosphoryl}oxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
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CAS No:
Computed Properties
Molecular Weight:857.6
XLogP3:-5.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:22
Exact Mass:857.09276073
Monoisotopic Mass:857.09276073
Topological Polar Surface Area:424
Heavy Atom Count:53
Complexity:1420
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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