[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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![[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/34bafd975b39499c8bfda199d2d71789.png "[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate")
[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
110224-45-8
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Formula:
C13H22N6O10P2S
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Chemical Name:
[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
2-((3-aminopropyl)thio)adenosine 5'-diphosphate;2-((3-aminopropyl)thio)adenosine-ADP;2-APTA-ADP;110224-45-8;2-Apta-ADP;2-((3-Aminopropyl)thio)adenosine-ADP;2-((3-Aminopropyl)thio)adenosine 5'-diphosphate;DTXSID00911546;2-[(3-aminopropyl)sulfanyl]adenosine diphosphate;((2R,3S,4R,5R)-5-(6-Amino-2-((3-aminopropyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate;2-[(3-Aminopropyl)sulfanyl]-9-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
516.36 g/mol
516.05933609 g/mol
Computed Properties
Molecular Weight:516.36
XLogP3:-6.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:516.05933609
Monoisotopic Mass:516.05933609
Topological Polar Surface Area:284
Heavy Atom Count:32
Complexity:737
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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