[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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![[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/239563e7bfd34a469d4cf5a8749076cd.png "[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate")
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
34983-48-7
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Formula:
C11H17N5O10P2S
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Chemical Name:
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
(3H)2-MeS-ADP;2-MeS-ADP;2-MeSADP;2-methylthio-adenosine-5'-diphosphate;2-methylthio-ADP;2MeSADP;methylthio-adenosine diphosphate;methylthio-ADP;methylthio-ADP, P'-(32)P-labeled;2-MeSADP;2MeSADP;2-methylthio-ADP;2-Mes-ADP;2-methylthio-adenosine-5'-diphosphate;34983-48-7;CHEMBL435402;[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;methylthio-ADP;2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate);(3H)2-Mes-ADP;((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate;2-(Methylthio)adenosine 5'-diphosphate;[3H]2-methylthio-ADP;[3H]2MeSADP;SCHEMBL195864;GTPL1710;GTPL1763;DTXSID20956439;2-(Methylthio)-Adenosinediphosphate;ZINC3995387;BDBM50118242;Q27072021;Adenosine 5'-(trihydrogen diphosphate), 2-(methylthio)-;9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-2-(methylsulfanyl)-9H-purin-6-amine;((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate;[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid;6AD
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CAS No:
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
473.30 g/mol
473.01713693 g/mol
Computed Properties
Molecular Weight:473.30
XLogP3:-3.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:473.01713693
Monoisotopic Mass:473.01713693
Topological Polar Surface Area:258
Heavy Atom Count:29
Complexity:688
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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