Ethyl Dihydrogen Phosphate

Status : experimental

Chemical Classification

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

Monoalkyl phosphates

Organic compounds

Organophosphorus compounds

Organic phosphoric acids and derivatives

Phosphate esters

Calculated Property

kind Value Source
logP -0.27 ALOGPS
logS -0.64 ALOGPS
Water Solubility 2.90e+01 g/l ALOGPS
logP -0.29 ChemAxon
IUPAC Name ethoxyphosphonic acid ChemAxon
Traditional IUPAC Name ethyl dihydrogen phosphate ChemAxon
Molecular Weight 126.0483 ChemAxon
Monoisotopic Weight 126.008195224 ChemAxon
SMILES CCOP(O)(O)=O ChemAxon
Molecular Formula C2H7O4P ChemAxon
InChI InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5) ChemAxon
InChIKey InChIKey=ZJXZSIYSNXKHEA-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 66.76 ChemAxon
Refractivity 23.88 ChemAxon
Polarizability 9.82 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 1.8 ChemAxon
Physiological Charge -2 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

  • Parathion hydrolase : in Flavobacterium sp. (strain ATCC 27551)
  • Cholinesterase : in Human