[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate
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![[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fa810df1dc484e93b419a5ed512bbf51.png "[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate")
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate
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CAS No:
97143-48-1
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Formula:
C18H18BrN5O5
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Chemical Name:
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate
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Synonyms:
5'-(4-bromomethylbenzoyl)adenosine;pBMBA;pBMBA;5'-(4-Bromomethylbenzoyl)adenosine;97143-48-1;DTXSID10914104;[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate;Adenosine, 5'-(4-(bromomethyl)benzoate);9-{5-O-[4-(Bromomethyl)benzoyl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate Basic Attributes
464.3 g/mol
463.04913 g/mol
Computed Properties
Molecular Weight:464.3
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:463.04913
Monoisotopic Mass:463.04913
Topological Polar Surface Area:146
Heavy Atom Count:29
Complexity:581
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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