[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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![[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17c5e46f41c841fdb7840cf403dc65d0.png "[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid")
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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CAS No:
97474-27-6
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Formula:
C11H17BrN5O12P3
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Chemical Name:
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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Synonyms:
5'-adenylyl (alpha,beta-bromomethylene)diphosphonate;5'-adenylyl (alpha,beta-bromomethylene)diphosphonate, p(CHBr)ppA;alpha,beta-bromomethylene-ATP;pp(CHBr)pA;97474-27-6;pp(Chbr)pA;alpha,beta-Bromomethylene-ATP;5'-Adenylyl (alpha,beta-bromomethylene)diphosphonate;DTXSID10913899;Adensosine, 5'-(hydrogen(bromo(hydroxy(phsophenooxy)phosphinyl)methyl)phosphonate);9-{5-O-[{Bromo[hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid Basic Attributes
584.10 g/mol
582.92699 g/mol
Computed Properties
Molecular Weight:584.10
XLogP3:-4.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:582.92699
Monoisotopic Mass:582.92699
Topological Polar Surface Area:270
Heavy Atom Count:32
Complexity:836
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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