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2-Hydroxytetracosanoic acid ethyl ester

CAT: 0804-HY-N1737Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N1737Size:1 Each
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Description
2-Hydroxytetracosanoic acid ethyl ester (compound 33) is a fatty acid compound[1].
CAS Number
124111-47-3
UNSPSC
12352211
Target
Others
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCCCCCCCC(O)C(OCC)=O
Molecular Formula
C26H52O3
Molecular Weight
412.69
References & Citations
[1]Di He, et al. Phytochemistry and bioactivities of the main constituents of Polyporus umbellatus (Pers.) Fries. Phytomedicine. 2022 Aug:103:154196.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-Hydroxytetracosanoic acid ethyl ester
CAS Number124111-47-3
PubChem CID54478553
IUPAC Nameethyl 2-hydroxytetracosanoate
Molecular FormulaC26H52O3
Molecular Weight412.7
XLogP11.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count24
Heavy Atom Count29
Formal Charge0
Complexity330
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC)O
InChI
InChI=1S/C26H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29-4-2/h25,27H,3-24H2,1-2H3
InChIKey
XNIPTMIZKFSVOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxytetracosanoic acid ethyl ester
CAS: 124111-47-3
CID: 54478553
Formula: C26H52O3
MW: 412.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.7
XLogP311.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count24
Exact Mass412.39164552
Monoisotopic Mass412.39164552
Topological Polar Surface Area46.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes