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2-Hydroxyhexadecanoic Acid

CAT: 0127-OR1010485-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1010485-01Size:100 mg
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CAS Number
764-67-0
MDL Number
MFCD00014343
Purity
95%
Smiles
[H]C(O)(CCCCCCCCCCCCCC)C(O)=O
Storage Conditions
Store at 2-8°C

Chemical Information

2-Hydroxyhexadecanoic acid

2-hydroxyhexadecanoic acid is a 2-hydroxy fatty acid comprising a C16 straight chain carrying a hydroxy substituent at position 2. It has a role as a human metabolite. It is a 2-hydroxy fatty acid and a hydroxypalmitic acid. It is a conjugate acid of a 2-hydroxyhexadecanoate.

CAS Number764-67-0
PubChem CID92836
IUPAC Name2-hydroxyhexadecanoic acid
Molecular FormulaC16H32O3
Molecular Weight272.42
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity204
SMILES
CCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey
JGHSBPIZNUXPLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyhexadecanoic acid
CAS: 764-67-0
CID: 92836
Formula: C16H32O3
MW: 272.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.42
XLogP36.4
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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