36377-33-0
Product Name:
12-HYDROXYSTEARIC ACID
Formula:
C18H36O3
Synonyms:
12-HSA;12-Hydroxystearic acid
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Dry Powder; Liquid; Other Solid |
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Color/Form | Crystals from alcohol |
Melting Point | 82 °C |
Solubility | Soluble in alcohol, ether, chloroform; insoluble in water |
Other Experimental Properties | A C18 straight chain fatty acid with an -OH group attached to the carbon chain; combustible |
Chemical Classes | Other Classes -> Organic Acids |
COMPUTED DESCRIPTORS
Molecular Weight | 300.5 g/mol |
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XLogP3 | 6.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 16 |
Exact Mass | 300.26644501 g/mol |
Monoisotopic Mass | 300.26644501 g/mol |
Topological Polar Surface Area | 57.5 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 229 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
12-hydroxyoctadecanoic acid is a hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. It has a role as a plant metabolite and a bacterial xenobiotic metabolite. It is a hydroxyoctadecanoic acid and a secondary alcohol. It is a conjugate acid of a 12-hydroxyoctadecanoate.