Coenzyme A, 3'-O-dephosphono-, S-acetate
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Coenzyme A, 3'-O-dephosphono-, S-acetate
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CAS No:
31664-34-3
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Formula:
C23H37N7O14P2S
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Chemical Name:
Coenzyme A, 3'-O-dephosphono-, S-acetate
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Synonyms:
acetyl-dephospho-CoA;acetyl-dephospho-coenzyme A;31664-34-3;Acetyl-dephospho-coenzyme A;Acetyl-dephospho-coa;DTXSID40953627;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate;Coenzyme A, 3'-O-dephosphono-, S-acetate;9-{5-O-[{[{4-[(3-{[2-(Acetylsulfanyl)ethyl]imino}-3-hydroxypropyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
Computed Properties
Molecular Weight:729.6
XLogP3:-4.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:18
Exact Mass:729.15944405
Monoisotopic Mass:729.15944405
Topological Polar Surface Area:342
Heavy Atom Count:47
Complexity:1210
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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