Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
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Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
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CAS No:
5863-40-1
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Formula:
C21H36N7O16P3
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Chemical Name:
Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
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Synonyms:
Adenosine 5′-(trihydrogen diphosphate),3′-(dihydrogen phosphate),P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester;Adenosine,3′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate),5′→4-ester with N-[2-(ethylcarbamoyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutyramide;Adenosine 5′-(trihydrogen diphosphate),3′-(dihydrogen phosphate),P′-[4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester,(R)-;Adenosine,3′-phosphate 5′-pyrophosphate,5′→4-ester with N-[2-(ethylcarbamoyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutyramide;Coenzyme A,desulfo-;Desulfo-CoA;Desulfocoenzyme A;Dethia-CoA;5711-20-6;10417-97-7;21284-28-6
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CAS No:
Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester Basic Attributes
741.404
735.47
Computed Properties
Molecular Weight:735.5
XLogP3:-5.7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:17
Exact Mass:735.14313908
Monoisotopic Mass:735.14313908
Topological Polar Surface Area:347
Heavy Atom Count:47
Complexity:1240
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
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