2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid
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2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid
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CAS No:
10154-08-2
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Formula:
C10H13N5O4
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Chemical Name:
2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid
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Synonyms:
10154-08-2;beta-(Theobromine-8)-alpha-alanine;alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid;SCHEMBL5326353;DTXSID50906301;2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid;Purine-8-propionic acid, alpha-amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxo-;3-(6-Hydroxy-3,7-dimethyl-2-oxo-3,7-dihydro-2H-purin-8-yl)alanine
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CAS No:
2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid Basic Attributes
267.24 g/mol
267.09675391 g/mol
Computed Properties
Molecular Weight:267.24
XLogP3:-3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:267.09675391
Monoisotopic Mass:267.09675391
Topological Polar Surface Area:131
Heavy Atom Count:19
Complexity:428
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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