[(2S,3S,4R,5R)-5-[6-[6-[(2-bromoacetyl)amino]hexylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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![[(2S,3S,4R,5R)-5-[6-[6-[(2-bromoacetyl)amino]hexylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2f041c1393884ce9819c96627dd993c8.png "[(2S,3S,4R,5R)-5-[6-[6-[(2-bromoacetyl)amino]hexylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid")
[(2S,3S,4R,5R)-5-[6-[6-[(2-bromoacetyl)amino]hexylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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CAS No:
66060-75-1
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Formula:
C18H30BrN6O13P3
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Chemical Name:
[(2S,3S,4R,5R)-5-[6-[6-[(2-bromoacetyl)amino]hexylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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Synonyms:
N(6)-(6-bromoacetamidohexyl)-adenylyl-(beta, gamma,-methylene)diphosphonate;N(6)-(6-bromoacetamidohexyl)-AMP.PCP;66060-75-1;N(6)-(6-Bromoacetamidohexyl)-amp.pcp;DTXSID10984549;N(6)-(6-Bromoacetamidohexyl)-adenylyl-(beta,gamma-methylene)diphosphonate;5'-Adenylic acid, N-(6-((bromoacetyl)amino)hexyl)-, monoanhydride with methylenebis(phosphonic acid);N-{6-[(2-Bromo-1-hydroxyethylidene)amino]hexyl}-9-[5-deoxy-5-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
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CAS No:
[(2S,3S,4R,5R)-5-[6-[6-[(2-bromoacetyl)amino]hexylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Basic Attributes
711.3 g/mol
710.02671 g/mol
Computed Properties
Molecular Weight:711.3
XLogP3:-2.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:16
Exact Mass:710.02671
Monoisotopic Mass:710.02671
Topological Polar Surface Area:285
Heavy Atom Count:41
Complexity:1030
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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