208111-98-2
Product Name:
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
Formula:
C25H21F3O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 474.4 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 474.12902287 g/mol |
| Monoisotopic Mass | 474.12902287 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 788 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |