[[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8006c0c32e3644e7ab138f2e074a3fcd.png "[[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
68745-44-8
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Formula:
C10H16N5O14P3
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
8-hydroxy-ATP;8-hydroxyadenosine 5'-triphosphate;8-Oxo-Adenosine-5'-Triphosphate;68745-44-8;8-Hydroxyadenosine 5'-triphosphate;8-Hydroxy-ATP;CHEMBL4449132;SCHEMBL15794730;DTXSID20988452;Q27461010;Adenosine 5'-(tetrahydrogen triphosphate), 7,8-dihydro-8-oxo-;6-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-8-ol;H6Y
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CAS No:
[[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
523.18 g/mol
522.99066119 g/mol
Computed Properties
Molecular Weight:523.18
XLogP3:-6.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:522.99066119
Monoisotopic Mass:522.99066119
Topological Polar Surface Area:294
Heavy Atom Count:32
Complexity:872
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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What is [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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