19326-29-5
Product Name:
(1S)-2-oxobornane-10-sulphonic acid, compound with 7-[2-(diethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
Formula:
C13H21N5O2.C10H16O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 511.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 511.24645509 g/mol |
| Monoisotopic Mass | 511.24645509 g/mol |
| Topological Polar Surface Area | 142 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 789 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |