methylenecyclopropyl acetyl-coenzyme A
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methylenecyclopropyl acetyl-coenzyme A
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CAS No:
56898-43-2
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Formula:
C27H42N7O17P3S
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Chemical Name:
methylenecyclopropyl acetyl-coenzyme A
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Synonyms:
methylenecyclopropyl acetyl-CoA;methylenecyclopropyl acetyl-coenzyme A;56898-43-2;Methylenecyclopropyl acetyl-coa;Methylenecyclopropyl acetyl-CoA; (Acyl-CoA); [M+H]+;;DTXSID60972335;Methylenecyclopropyl acetyl-coenzyme A;Coenzyme A, S-(2-methylenecyclopropaneacetate);9-{5-O-[({[3,4-Dihydroxy-4-({3-hydroxy-3-[(2-{[(2-methylidenecyclopropyl)acetyl]sulfanyl}ethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofur
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CAS No:
Computed Properties
Molecular Weight:861.6
XLogP3:-5.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:22
Exact Mass:861.15707506
Monoisotopic Mass:861.15707506
Topological Polar Surface Area:389
Heavy Atom Count:55
Complexity:1560
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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