1,2-Dipalmitoyl-Phosphatidyl-Glycerole

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.

Phosphatidylglycerols

Organic compounds

Lipids and lipid-like molecules

Glycerophospholipids

Glycerophosphoglycerols

Calculated Property

kind Value Source
logP 7.8 ALOGPS
logS -6.7 ALOGPS
Water Solubility 1.41e-04 g/l ALOGPS
logP 10.94 ChemAxon
IUPAC Name [(2S)-2,3-bis(hexadecanoyloxy)propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid ChemAxon
Traditional IUPAC Name (2S)-2,3-bis(hexadecanoyloxy)propoxy(2S)-2,3-dihydroxypropoxyphosphinic acid ChemAxon
Molecular Weight 722.9699 ChemAxon
Monoisotopic Weight 722.509785132 ChemAxon
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC ChemAxon
Molecular Formula C38H75O10P ChemAxon
InChI InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36-/m0/s1 ChemAxon
InChIKey InChIKey=BIABMEZBCHDPBV-ZPGRZCPFSA-N ChemAxon
Polar Surface Area (PSA) 148.82 ChemAxon
Refractivity 195.31 ChemAxon
Polarizability 88.52 ChemAxon
Rotatable Bond Count 40 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.89 ChemAxon
pKa (strongest basic) -3 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • V-type sodium ATPase subunit K : in Enterococcus hirae (strain ATCC 9790 / DSM 20160 / JCM 8729 / LMG 6399 / NBRC 3181 / NCIMB 6459 / NCDO 1258)