27240-83-1
Product Name:
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER
Formula:
C27H44O5
Synonyms:
3α,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester;Methyl 3α-acetoxy-12α-hydroxycholanate
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COMPUTED DESCRIPTORS
| Molecular Weight | 448.6 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.31887450 g/mol |
| Monoisotopic Mass | 448.31887450 g/mol |
| Topological Polar Surface Area | 72.8 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 721 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |