CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 2430 |
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COMPUTED DESCRIPTORS
Molecular Weight | 280.32 g/mol |
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XLogP3 | 0.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 280.15354051 g/mol |
Monoisotopic Mass | 280.15354051 g/mol |
Topological Polar Surface Area | 78.7 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 390 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is a dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively. It is a secondary alcohol and a dimethylxanthine.