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12-Doxylstearic acid

CAT: 0804-HY-131309-01Size: 500 μg (2.60 mM x 500 μL in Ethanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-131309-01Size:500 μg (2.60 mM x 500 μL in Ethanol)
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Description
12-Doxyl stearic acid is a form of stearic acid that contains a 4,4-dimethyl-3-oxazolinyloxy (DOXYL) group, creating a hydrophobic spin label. It is commonly used to study molecular aspects of membranes and hydrophobic proteins.
CAS Number
29545-47-9
Product Name Alternative
12-DSA
UNSPSC
12352005
Hazard Statement
H225, H319
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/12-doxylstearic-acid.html
Concentration
2.60 mM * 1 mL in Ethanol
Purity
99.00
Smiles
[O]N1C(CCCCCC)(CCCCCCCCCCC(O)=O)OCC1(C)C
Molecular Formula
C22H42NO4
Molecular Weight
384.57
Precautions
H225, H319
References & Citations
[1]Fournier, et al. Self-aggregation, a new property of cardiac fatty acid-binding protein. Predictable influence on energy production in the heart. J. Biol. Chem. 258 (5), 2929-2933 (1983) .
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

12-Doxylstearic acid

structure given in first source

CAS Number29545-47-9
PubChem CID3035431
Molecular FormulaC22H42NO4
Molecular Weight384.6
XLogP4.3
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count27
Formal Charge0
Complexity427
SMILES
CCCCC(C)C1(N(C(CO1)(C)C)[O])CCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H42NO4/c1-5-6-15-19(2)22(23(26)21(3,4)18-27-22)17-14-12-10-8-7-9-11-13-16-20(24)25/h19H,5-18H2,1-4H3,(H,24,25)
InChIKey
BZLDGZBNMOECGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-Doxylstearic acid
CAS: 29545-47-9
CID: 3035431
Formula: C22H42NO4
MW: 384.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight384.6
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass384.31138382
Monoisotopic Mass384.31138382
Topological Polar Surface Area50.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes