[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.

Organic phosphonic acids

Organic compounds

Organophosphorus compounds

Organic phosphonic acids and derivatives

Organic phosphonic acids

Calculated Property

kind Value Source
logP -1.2 ALOGPS
logS -0.9 ALOGPS
Water Solubility 2.15e+01 g/l ALOGPS
logP -2.4 ChemAxon
IUPAC Name [2-(N-hydroxyformamido)ethyl]phosphonic acid ChemAxon
Traditional IUPAC Name 2-(N-hydroxyformamido)ethylphosphonic acid ChemAxon
Molecular Weight 169.0731 ChemAxon
Monoisotopic Weight 169.014008883 ChemAxon
SMILES ON(CCP(O)(O)=O)C=O ChemAxon
Molecular Formula C3H8NO5P ChemAxon
InChI InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9) ChemAxon
InChIKey InChIKey=NBAIGNUEKZLOMI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 98.07 ChemAxon
Refractivity 31.97 ChemAxon
Polarizability 13.13 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.79 ChemAxon
pKa (strongest basic) -5.7 ChemAxon
Physiological Charge -1 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

  • Triosephosphate isomerase : in Human