1-Hexadecanosulfonyl-O-L-Serine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.

D-alpha-amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP 2.21 ALOGPS
logS -5.9 ALOGPS
Water Solubility 4.48e-04 g/l ALOGPS
logP 2.86 ChemAxon
IUPAC Name (2S)-2-amino-3-[(hexadecane-1-sulfonyl)oxy]propanoic acid ChemAxon
Traditional IUPAC Name (2S)-2-amino-3-[(hexadecane-1-sulfonyl)oxy]propanoic acid ChemAxon
Molecular Weight 393.582 ChemAxon
Monoisotopic Weight 393.254894053 ChemAxon
SMILES [H][C@](N)(COS(=O)(=O)CCCCCCCCCCCCCCCC)C(O)=O ChemAxon
Molecular Formula C19H39NO5S ChemAxon
InChI InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1 ChemAxon
InChIKey InChIKey=NKAIXQDVYXAWPS-SFHVURJKSA-N ChemAxon
Polar Surface Area (PSA) 106.69 ChemAxon
Refractivity 104 ChemAxon
Polarizability 47.23 ChemAxon
Rotatable Bond Count 19 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 1.54 ChemAxon
pKa (strongest basic) 8.57 ChemAxon
Physiological Charge 0 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

  • Phospholipase A1 : in Escherichia coli (strain K12)