6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Medium-chain fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP -0.53 ALOGPS
logS -3.8 ALOGPS
Water Solubility 5.05e-02 g/l ALOGPS
logP -1.1 ChemAxon
IUPAC Name (6R)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid ChemAxon
Traditional IUPAC Name (6R)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid ChemAxon
Molecular Weight 313.5 ChemAxon
Monoisotopic Weight 313.084005677 ChemAxon
SMILES NCSCC[C@@H](CCCCC(O)=O)SSCCO ChemAxon
Molecular Formula C11H23NO3S3 ChemAxon
InChI InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m1/s1 ChemAxon
InChIKey InChIKey=BFRWEULQQALYNZ-SNVBAGLBSA-N ChemAxon
Polar Surface Area (PSA) 83.55 ChemAxon
Refractivity 82.81 ChemAxon
Polarizability 34.54 ChemAxon
Rotatable Bond Count 13 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 4.06 ChemAxon
pKa (strongest basic) 8.33 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glycine cleavage system H protein, mitochondrial : in Human