2-(6-AMINO-9H-PURIN-8-YLSULFANYL)-BUTYRIC ACID
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2-(6-AMINO-9H-PURIN-8-YLSULFANYL)-BUTYRIC ACID
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CAS No:
436086-77-0
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Formula:
C9H11N5O2S
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Chemical Name:
2-(6-AMINO-9H-PURIN-8-YLSULFANYL)-BUTYRIC ACID
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Synonyms:
2-(6-Amino-9H-purin-8-ylsulfanyl)-butyric acid;2-[(6-Amino-9H-Purin-8-yl)thio]butanoic acid;2-(6-aminopurin-8-ylthio)butanoic acid;Butanoic acid, 2-[(6-amino-9H-purin-8-yl)thio]-;2-((6-Amino-9H-purin-8-yl)thio)butanoic acid;BAS 05307942;MLS000715206;CHEMBL1369205;CTK1D8691;DTXSID00378251
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CAS No:
2-(6-AMINO-9H-PURIN-8-YLSULFANYL)-BUTYRIC ACID Basic Attributes
253.28
253.06300
DTXSID00378251
2933990090
Computed Properties
Molecular Weight:253.28
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:253.06334578
Monoisotopic Mass:253.06334578
Topological Polar Surface Area:143
Heavy Atom Count:17
Complexity:293
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(6-AMINO-9H-PURIN-8-YLSULFANYL)-BUTYRIC ACID
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