4201-78-9
Product Name:
(2-hydroxyethyl)trimethylammonium (5beta)-3,7,12-trioxocholan-24-oate
Formula:
C29H47NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 505.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 505.34033822 g/mol |
| Monoisotopic Mass | 505.34033822 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 797 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |