863239-59-2
Product Name:
(E/Z)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid Methyl ester
Formula:
C27H42O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 430.6 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 430.30830982 g/mol |
| Monoisotopic Mass | 430.30830982 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 756 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |