ATPgamma-(N-(2-chloroethyl)-N-methyl)amide
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ATPgamma-(N-(2-chloroethyl)-N-methyl)amide
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CAS No:
90906-29-9
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Formula:
C13H22ClN6O12P3
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Chemical Name:
ATPgamma-(N-(2-chloroethyl)-N-methyl)amide
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Synonyms:
adenosine triphosphate gamma-(N-(2-chloroethyl)-N-methyl)amide;ATP gamma-(N-(2-chloroethyl)-N-methyl)amide;CMA-ATP;DTXSID90920081;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(2-chloroethyl)-N-methylphosphonamidic acid;Adenosine 5"-(trihydrogen diphosphate), dichlorobis(2-nitro-1H-imidazole-N3)-, (SP-4-1)-;9-{5-O-[{[({[(2-Chloroethyl)(methyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
Computed Properties
Molecular Weight:582.72
XLogP3:-4.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:11
Exact Mass:582.0197088
Monoisotopic Mass:582.0197088
Topological Polar Surface Area:262
Heavy Atom Count:35
Complexity:893
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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