CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 204.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated] |
COMPUTED DESCRIPTORS
| Molecular Weight | 406.6 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 406.27192431 g/mol |
| Monoisotopic Mass | 406.27192431 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 676 |
| 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
3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid is a 7-oxo steroid and an oxo-5beta-cholanic acid. It is a conjugate acid of a 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate.