CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | 0.00135 mg/mL |
| LogP | 2.02 |
| Collision Cross Section | 201.1 Ų [M-H]- [CCS Type: DT, Method: single field calibrated] |
COMPUTED DESCRIPTORS
| Molecular Weight | 449.6 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 449.31412347 g/mol |
| Monoisotopic Mass | 449.31412347 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 727 |
| 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
Glycoursodeoxycholic acid is a bile acid glycine conjugate derived from ursoodeoxycholic acid. It has a role as a neuroprotective agent and a human blood serum metabolite. It is a bile acid glycine conjugate and a N-acylglycine. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a glycoursodeoxycholate.