coenzyme A, dec-2-ynoyl-
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coenzyme A, dec-2-ynoyl-
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CAS No:
105528-05-0
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Formula:
C31H50N7O17P3S
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Chemical Name:
coenzyme A, dec-2-ynoyl-
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Synonyms:
2-decynoyl-CoA;coenzyme A, dec-2-ynoyl-;dec-2-ynoyl-coenzyme A;Dec-2-ynoyl-coenzyme A;105528-05-0;2-Decynoyl-coa;S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) dec-2-ynethioate;Coenzyme A, dec-2-ynoyl-;DTXSID80909582;2-Decynoyl-CoA; (Acyl-CoA); [M+H]+;;9-{5-O-[{[(4-{[3-({2-[(Dec-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-am
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CAS No:
Computed Properties
Molecular Weight:917.8
XLogP3:-1.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:25
Exact Mass:917.21967532
Monoisotopic Mass:917.21967532
Topological Polar Surface Area:389
Heavy Atom Count:59
Complexity:1630
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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