1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.

Dialkyl phosphates

Organic compounds

Organophosphorus compounds

Organic phosphoric acids and derivatives

Phosphate esters

Calculated Property

kind Value Source
logP 3.96 ALOGPS
logS -4.8 ALOGPS
Water Solubility 6.63e-03 g/l ALOGPS
logP 4.65 ChemAxon
IUPAC Name {[(2S)-1-(decyloxy)-3-(2,2,2-trifluoroethoxy)propan-2-yl]oxy}(methoxy)phosphinic acid ChemAxon
Traditional IUPAC Name [(2S)-1-(decyloxy)-3-(2,2,2-trifluoroethoxy)propan-2-yl]oxy(methoxy)phosphinic acid ChemAxon
Molecular Weight 408.3907 ChemAxon
Monoisotopic Weight 408.188859883 ChemAxon
SMILES [H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC ChemAxon
Molecular Formula C16H32F3O6P ChemAxon
InChI InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1 ChemAxon
InChIKey InChIKey=YBCDZAGHRGXDRX-HNNXBMFYSA-N ChemAxon
Polar Surface Area (PSA) 74.22 ChemAxon
Refractivity 92.3 ChemAxon
Polarizability 40.76 ChemAxon
Rotatable Bond Count 18 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 1.9 ChemAxon
pKa (strongest basic) -3.9 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

  • Phospholipase A2 : in Human