[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate
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![[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b9f658bf56f44a14b46708f0edd4dbd8.png "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate")
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate
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CAS No:
60478-94-6
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Formula:
C10H16N5O12P3S
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Chemical Name:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate
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Synonyms:
adenosine 5'-(2-thio)triphosphate;adenosine 5'-(2-thiotriphosphate);adenosine 5'-O-(2-thiotriphosphate);ATP beta S;ATP beta-S;ATP beta S;ATP-beta-S;SCHEMBL77441;Adenosine 5'-(2-thio)triphosphate;Adenosine 5'-(2-thiotriphosphate);[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate;5'-Adenylic acid, P'-anhydride with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2);60478-94-6
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CAS No:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate Basic Attributes
523.25 g/mol
522.97290313 g/mol
Drug Information
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)
adenosine 5'-(2-thio)triphosphate
Computed Properties
Molecular Weight:523.25
XLogP3:-4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:522.97290313
Monoisotopic Mass:522.97290313
Topological Polar Surface Area:294
Heavy Atom Count:31
Complexity:805
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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