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Methyl 2-hydroxyhexadecanoate

CAT: 0804-HY-124014-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124014-01Size:25 mg
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Description
Methyl 2-hydroxyhexadecanoate is an ester product.
CAS Number
16742-51-1
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/methyl-2-hydroxyhexadecanoate.html
Smiles
O=C(OC)C(CCCCCCCCCCCCCC)O
Molecular Formula
C17H34O3
Molecular Weight
286.45
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl 2-hydroxyhexadecanoate
CAS Number16742-51-1
PubChem CID543716
IUPAC Namemethyl 2-hydroxyhexadecanoate
Molecular FormulaC17H34O3
Molecular Weight286.4
XLogP6.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity216
SMILES
CCCCCCCCCCCCCCC(C(=O)OC)O
InChI
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16,18H,3-15H2,1-2H3
InChIKey
LQZITXGTIYKQBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-hydroxyhexadecanoate
CAS: 16742-51-1
CID: 543716
Formula: C17H34O3
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass286.25079494
Monoisotopic Mass286.25079494
Topological Polar Surface Area46.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity216
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

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