10452-63-8
Product Name:
(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
Formula:
C29H43BrO7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 583.6 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 582.21922 g/mol |
| Monoisotopic Mass | 582.21922 g/mol |
| Topological Polar Surface Area | 96 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 935 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |