547-75-1
Product Name:
HYOCHOLIC ACID
Formula:
C24H40O5
Synonyms:
3α,6α,7α-trihydroxy-5β-cholanic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 206 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 408.6 g/mol |
---|---|
XLogP3 | 3.9 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Exact Mass | 408.28757437 g/mol |
Monoisotopic Mass | 408.28757437 g/mol |
Topological Polar Surface Area | 98 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 637 |
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
Hyocholic acid is a trihydroxy-5beta-cholanic acid in which the three hydroxy substituents are located at the 3alpha-, 6alpha- and 7alpha-positions. It has a role as a mouse metabolite, a human urinary metabolite and a rat metabolite. It is a C24-steroid, a 6alpha-hydroxy steroid, a 7alpha-hydroxy steroid and a member of muricholic acids. It is a conjugate acid of a hyocholate.