CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 205.5 Ų [M-H]- [CCS Type: DT, Method: single field calibrated] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 374.6 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 374.28209507 g/mol |
| Monoisotopic Mass | 374.28209507 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 613 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
3-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid. It is a conjugate acid of a 3-oxo-5beta-cholanate.