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6-Hydroxyhexadecanoic acid

CAT: 0804-HY-W718422-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W718422-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Hydroxyhexadecanoic acid is an ester product.
CAS Number
58763-57-8
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/6-hydroxyhexadecanoic-acid.html
Smiles
CCCCCCCCCCC(O)CCCCC(O)=O
Molecular Formula
C16H32O3
Molecular Weight
272.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

6-Hydroxyhexadecanoic acid
CAS Number58763-57-8
PubChem CID12398972
IUPAC Name6-hydroxyhexadecanoic acid
Molecular FormulaC16H32O3
Molecular Weight272.42
XLogP5.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity204
SMILES
CCCCCCCCCCC(CCCCC(=O)O)O
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey
DLMIUMCETWCTHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxyhexadecanoic acid
CAS: 58763-57-8
CID: 12398972
Formula: C16H32O3
MW: 272.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.42
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass272.23514488
Monoisotopic Mass272.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity204
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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