Adenosine 5′-(trihydrogen diphosphate), P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester, inner salt
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![Adenosine 5′-(trihydrogen diphosphate), P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/caf11ceb24904152ad22cfe4bb781643.png "Adenosine 5′-(trihydrogen diphosphate), P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester, inner salt")
Adenosine 5′-(trihydrogen diphosphate), P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester, inner salt
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CAS No:
36097-68-4
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Formula:
C20H25BrN6O11P2
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Chemical Name:
Adenosine 5′-(trihydrogen diphosphate), P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester, inner salt
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Synonyms:
Adenosine 5′-(trihydrogen diphosphate),P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester,inner salt;[3-(4-Bromoacetylpyridinio)propyl]adenosine pyrophosphate
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CAS No:
Adenosine 5′-(trihydrogen diphosphate), P′-[3-[4-(bromoacetyl)pyridinio]propyl] ester, inner salt Basic Attributes
667.3 g/mol
666.02399 g/mol
Computed Properties
Molecular Weight:667.3
XLogP3:-2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:13
Exact Mass:666.02399
Monoisotopic Mass:666.02399
Topological Polar Surface Area:245
Heavy Atom Count:40
Complexity:958
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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