CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Sigma-Aldrich MSDS] |
|---|---|
| Collision Cross Section | 198.1 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2906 2906 |
| Chemical Classes | Biological Agents -> Other Biomolecules |
COMPUTED DESCRIPTORS
| Molecular Weight | 422.6 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 422.30322444 g/mol |
| Monoisotopic Mass | 422.30322444 g/mol |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 652 |
| 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 |
PRODUCT INTRODUCTION
description
Cholic Acid Methyl Ester is a bile acid.