5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid
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5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid
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CAS No:
5432-58-6
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Formula:
C12H16N4O4
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Chemical Name:
5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid
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Synonyms:
NSC14119;8-Theophyllinevaleric acid;5432-58-6;NSC-14119;5-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)pentanoic acid;NCIStruc1_000493;NCIStruc2_001165;CHEMBL1368604;DTXSID30279782;NCI14119;NSC14379;ZINC1596679;CCG-37674;NCGC00013179;NSC-14379;NCGC00013179-02;NCGC00096300-01;NCI60_000903;5-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)pentanoic acid
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CAS No:
5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid Basic Attributes
280.28 g/mol
280.11715500 g/mol
14379|14119
DTXSID30279782
Computed Properties
Molecular Weight:280.28
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:280.11715500
Monoisotopic Mass:280.11715500
Topological Polar Surface Area:107
Heavy Atom Count:20
Complexity:428
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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