4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid
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![4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d9655b5b52cc4e3f9b6c99cf9ce956c5.png "4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid")
4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid
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CAS No:
19240-42-7
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Formula:
C14H18N5O10P
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Chemical Name:
4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid
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Synonyms:
adenylosuccinate;adenylosuccinic acid;19240-42-7;DTXSID50903976;5'-Adenylic acid, monoanhydride with butanedioic acid
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CAS No:
4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid Basic Attributes
447.29 g/mol
447.07912879 g/mol
Computed Properties
Molecular Weight:447.29
XLogP3:-3.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:447.07912879
Monoisotopic Mass:447.07912879
Topological Polar Surface Area:229
Heavy Atom Count:30
Complexity:700
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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