[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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![[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4b2ca0422380464695e0d4ce3623fd18.png "[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate")
[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
23600-16-0
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Formula:
C10H14BrN5O10P2
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Chemical Name:
[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
8-bromo-ADP;8-bromoadenosine 5'-diphosphate;Br8ADP;8-Bromo-ADP;8-Bromoadenosine 5'-diphosphate;23600-16-0;8-BROMOADENOSINE-5'-DIPHOSPHATE;Br8ADP;8-Bromo-Adenosine diphosphate;SCHEMBL4314233;CHEMBL1230795;DTXSID30946422;ZINC13548110;8-Bromoadenosine 5'-diphosphoric acid;DB04554;8-Bromo-9-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine;[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;8-bromoadenosine 5'-(trihydrogen diphosphate);Adenosine 5'-(trihydrogen diphosphate), 8-bromo-;((2R,3S,4R,5R)-5-(6-Amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
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CAS No:
[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
506.10 g/mol
504.93993 g/mol
Computed Properties
Molecular Weight:506.10
XLogP3:-3.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:504.93993
Monoisotopic Mass:504.93993
Topological Polar Surface Area:233
Heavy Atom Count:28
Complexity:673
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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