1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 1-acylglycerol-3-phosphates. These are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position.

1-acylglycerol-3-phosphates

Organic compounds

Lipids and lipid-like molecules

Glycerophospholipids

Glycerophosphates

Calculated Property

kind Value Source
logP -0.03 ALOGPS
logS -1.5 ALOGPS
Water Solubility 8.94e+00 g/l ALOGPS
logP 0.51 ChemAxon
IUPAC Name [(2S)-3-(hexanoyloxy)-2-hydroxypropoxy]phosphonic acid ChemAxon
Traditional IUPAC Name (2S)-3-(hexanoyloxy)-2-hydroxypropoxyphosphonic acid ChemAxon
Molecular Weight 270.2167 ChemAxon
Monoisotopic Weight 270.086839474 ChemAxon
SMILES [H][C@](O)(COC(=O)CCCCC)COP(O)(O)=O ChemAxon
Molecular Formula C9H19O7P ChemAxon
InChI InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1 ChemAxon
InChIKey InChIKey=FIMVTNBZKNVWDN-QMMMGPOBSA-N ChemAxon
Polar Surface Area (PSA) 113.29 ChemAxon
Refractivity 58.97 ChemAxon
Polarizability 25.89 ChemAxon
Rotatable Bond Count 10 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.51 ChemAxon
pKa (strongest basic) -3.4 ChemAxon
Physiological Charge -2 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

  • Lipoprotein MxiM : in Shigella sonnei
  • Lipoprotein MxiM : in Shigella flexneri
  • GrlR : in Escherichia coli O157:H7