13-Hydroxytetradecanoic acid

CAT: 0127-OR1067900-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1067900-02Size:100 mg

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CAS Number

17278-73-8

Purity

98%

Smiles

CC (O) CCCCCCCCCCCC (O) =O

Chemical Information

13-Hydroxytetradecanoic acid

13-hydroxytetradecanoic acid is an (1)-hydroxy fatty acid that is myristic acid in which one of the methylene hydrogens at position 13 is replaced by a hydroxy group. It has a role as a human xenobiotic metabolite and a bacterial metabolite. It is a long-chain fatty acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a tetradecanoic acid. It is a conjugate acid of a 13-hydroxytetradecanoate.

CAS Number	17278-73-8
PubChem CID	13111890
IUPAC Name	13-hydroxytetradecanoic acid
Molecular Formula	C14H28O3
Molecular Weight	244.37
XLogP	3.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	17
Formal Charge	0
Complexity	180

SMILES

CC(CCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C14H28O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)

InChIKey

KNFJWKJXKURGQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17278-73-8

CID: 13111890

Formula: C14H28O3

MW: 244.37

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	244.37
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	244.20384475
Monoisotopic Mass	244.20384475
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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13-Hydroxytetradecanoic acid

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