2616-79-7
Product Name:
3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID METHYL ESTER 3-ACETATE
Formula:
C27H42O5
Synonyms:
3α-Hydroxy-6-oxo-5α-cholan-24-oic acid methyl ester 3-acetate;Methyl 3α-acetoxy-6-oxo-5α-cholanate
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.6 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 446.30322444 g/mol |
| Monoisotopic Mass | 446.30322444 g/mol |
| Topological Polar Surface Area | 69.7 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 761 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |