3-Hydroxy-Myristic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.

Hydroxy fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP 4.69 ALOGPS
logS -3.9 ALOGPS
Water Solubility 2.99e-02 g/l ALOGPS
logP 4.14 ChemAxon
IUPAC Name (3R)-3-hydroxytetradecanoic acid ChemAxon
Traditional IUPAC Name 3-hydroxy-tetradecanoic acid ChemAxon
Molecular Weight 244.3703 ChemAxon
Monoisotopic Weight 244.203844762 ChemAxon
SMILES [H][C@@](O)(CCCCCCCCCCC)CC(O)=O ChemAxon
Molecular Formula C14H28O3 ChemAxon
InChI InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1 ChemAxon
InChIKey InChIKey=ATRNZOYKSNPPBF-CYBMUJFWSA-N ChemAxon
Polar Surface Area (PSA) 57.53 ChemAxon
Refractivity 69.4 ChemAxon
Polarizability 30.86 ChemAxon
Rotatable Bond Count 12 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.67 ChemAxon
pKa (strongest basic) -2.8 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Ferrichrome-iron receptor : in Escherichia coli (strain K12)
  • Protein TonB : in Escherichia coli (strain K12)
  • Lymphocyte antigen 96 : in Human
  • Toll-like receptor 4 : in Human