[(2R,3S,4R,5R)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
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![[(2R,3S,4R,5R)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ff48385785a5478fafb233680913faf0.png "[(2R,3S,4R,5R)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate")
[(2R,3S,4R,5R)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
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CAS No:
63074-11-3
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Formula:
C19H22BrN6O8P
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Chemical Name:
[(2R,3S,4R,5R)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
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Synonyms:
N(6)-(4-bromoacetaminobenzyl)-adenosine monophosphate;N(6)-(4-bromoacetaminobenzyl)-AMP;N(6)-(p-bromoacetaminobenzyl)-AMP;63074-11-3;N(6)-(p-Bromoacetaminobenzyl)-amp;DTXSID30979013;N(6)-(4-Bromoacetaminobenzyl)-amp;N(6)-(4-Bromoacetaminobenzyl)-adenosine monophosphate;5'-Adenylic acid, N-((4-((bromoacetyl)amino)phenyl)methyl)-;N-{[4-(2-Bromoacetamido)phenyl]methyl}-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine
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CAS No:
[(2R,3S,4R,5R)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Basic Attributes
573.3 g/mol
572.04201 g/mol
Computed Properties
Molecular Weight:573.3
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:572.04201
Monoisotopic Mass:572.04201
Topological Polar Surface Area:201
Heavy Atom Count:35
Complexity:774
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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