475-31-0
Product Name:
Glycocholic acid
Formula:
C26H43NO6
Synonyms:
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide;Cholylglycine;N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dihydrate: Solid; [Sigma-Aldrich MSDS] |
|---|---|
| Melting Point | 170 °C |
| Solubility | 0.0033 mg/mL |
| LogP | 1.65 |
| Collision Cross Section | 202 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Biological Agents -> Other Biomolecules |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 465.6 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 465.30903809 g/mol |
| Monoisotopic Mass | 465.30903809 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 759 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| 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
Glycocholic acid is a bile acid glycine conjugate having cholic acid as the bile acid component. It has a role as a human metabolite. It is functionally related to a cholic acid and a glycochenodeoxycholic acid. It is a conjugate acid of a glycocholate.