2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

L-alpha-amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP -1.9 ALOGPS
logS -0.92 ALOGPS
Water Solubility 2.41e+01 g/l ALOGPS
logP -3.5 ChemAxon
IUPAC Name (2S,3R)-2-amino-3-hydroxy-3-(phosphonooxy)propanoic acid ChemAxon
Traditional IUPAC Name (2S,3R)-2-amino-3-hydroxy-3-(phosphonooxy)propanoic acid ChemAxon
Molecular Weight 201.0719 ChemAxon
Monoisotopic Weight 201.003838127 ChemAxon
SMILES N[C@@H]([C@H](O)OP(O)(O)=O)C(O)=O ChemAxon
Molecular Formula C3H8NO7P ChemAxon
InChI InChI=1S/C3H8NO7P/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H2,8,9,10)/t1-,3-/m1/s1 ChemAxon
InChIKey InChIKey=JVLKWZAWYDOHCD-NPKIIWCNSA-N ChemAxon
Polar Surface Area (PSA) 150.31 ChemAxon
Refractivity 33.94 ChemAxon
Polarizability 14.66 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 0.91 ChemAxon
pKa (strongest basic) 8.82 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

  • Arylsulfatase A : in Human