7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
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7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
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CAS No:
87531-63-3
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Formula:
C27H36N12O9
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Chemical Name:
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
nebetol;neo-biphyllin;neobiphylline;Neobiphylline;Nebetol;Neo-biphyllin;87531-63-3;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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CAS No:
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Basic Attributes
672.7 g/mol
672.27282077 g/mol
Computed Properties
Molecular Weight:672.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:672.27282077
Monoisotopic Mass:672.27282077
Topological Polar Surface Area:247
Heavy Atom Count:48
Complexity:979
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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