CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 199.1 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 406.6 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 406.30830982 g/mol |
| Monoisotopic Mass | 406.30830982 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 620 |
| 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 |
PRODUCT INTRODUCTION
description
Deoxycholic acid methyl ester is a cholanoid.