14605-22-2
Product Name:
Tauroursodeoxycholic acid
Formula:
C26H45NO6S
Synonyms:
Sodium Tauroursodeoxycholate;Tauroursodeoxycholic Acid, Sodium Salt - CAS 14605-22-2 - Calbiochem
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 207.6 Ų [M-H]- [CCS Type: DT, Method: single field calibrated] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 499.7 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 499.29675933 g/mol |
| Monoisotopic Mass | 499.29675933 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 858 |
| 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
Tauroursodeoxycholic acid is a bile acid taurine conjugate derived from ursoodeoxycholic acid. It has a role as a human metabolite, an anti-inflammatory agent, a neuroprotective agent, an apoptosis inhibitor, a cardioprotective agent and a bone density conservation agent. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a tauroursodeoxycholate.