1,3-Dihydroxyacetonephosphate

Status : experimental

Description

An important intermediate in lipid biosynthesis and in glycolysis. [PubChem]

Chemical Classification

This compound belongs to the class of organic compounds known as glycerone phosphates. These are organic compounds containing a glycerone moiety that carries a phosphate group at the O-1 or O-2 position.

Glycerone phosphates

Organic compounds

Organooxygen compounds

Carbonyl compounds

Ketones

Calculated Property

kind Value Source
logP -1.5 ALOGPS
logS -0.89 ALOGPS
Water Solubility 2.19e+01 g/l ALOGPS
logP -1.7 ChemAxon
IUPAC Name (3-hydroxy-2-oxopropoxy)phosphonic acid ChemAxon
Traditional IUPAC Name dihydroxyacetone-phosphate ChemAxon
Molecular Weight 170.0578 ChemAxon
Monoisotopic Weight 169.998024468 ChemAxon
SMILES OCC(=O)COP(O)(O)=O ChemAxon
Molecular Formula C3H7O6P ChemAxon
InChI InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) ChemAxon
InChIKey InChIKey=GNGACRATGGDKBX-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 104.06 ChemAxon
Refractivity 30.47 ChemAxon
Polarizability 12.64 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.19 ChemAxon
pKa (strongest basic) -3.3 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

  • Fructose-bisphosphate aldolase A : in Human
  • Triosephosphate isomerase : in Human
  • Fructose-bisphosphate aldolase B : in Human
  • L-fuculose phosphate aldolase : in Escherichia coli (strain K12)