4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester
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4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester
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CAS No:
97226-61-4
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Formula:
C32H44N7O20P3S
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Chemical Name:
4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester
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Synonyms:
4-(2'-carboxyphenyl)-4-oxobutyryl-CoA ester;4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester;coenzyme A, 4-(2'-carboxyphenyl)-4-oxobutyrate-;CPO-CoA ester;97226-61-4;Cpo-coa ester;4-(2'-Carboxyphenyl)-4-oxobutyryl-coenzyme A ester;4-(2'-Carboxyphenyl)-4-oxobutyryl-coa ester;Coenzyme A, 4-(2'-carboxyphenyl)-4-oxobutyrate-;DTXSID70914049;Cpo-CoA ester; (Acyl-CoA); [M+H]+;;9-{5-O-[({[4-({3-[(2-{[4-(2-Carboxyphenyl)-4-oxobutanoyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofu
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CAS No:
Computed Properties
Molecular Weight:971.7
XLogP3:-4.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:25
Rotatable Bond Count:25
Exact Mass:971.15746899
Monoisotopic Mass:971.15746899
Topological Polar Surface Area:443
Heavy Atom Count:63
Complexity:1780
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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