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547-75-1

547-75-1 structural image
Product Name: HYOCHOLIC ACID
Formula: C24H40O5
Synonyms: 3α,6α,7α-trihydroxy-5β-cholanic acid
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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.