2,6-Anhydro-3-Deoxy-D-Erythro-Hex-2-Enonic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as carbohydrates and carbohydrate conjugates. These are monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives.

Carbohydrates and carbohydrate conjugates

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Calculated Property

kind Value Source
logP -1.1 ALOGPS
logS 0.23 ALOGPS
Water Solubility 2.74e+02 g/l ALOGPS
logP -1.5 ChemAxon
IUPAC Name (3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid ChemAxon
Traditional IUPAC Name (4R,5R)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid ChemAxon
Molecular Weight 160.1247 ChemAxon
Monoisotopic Weight 160.037173366 ChemAxon
SMILES O[C@@H]1COC(=C[C@H]1O)C(O)=O ChemAxon
Molecular Formula C6H8O5 ChemAxon
InChI InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m1/s1 ChemAxon
InChIKey InChIKey=GQECVRZDTXJRPX-QWWZWVQMSA-N ChemAxon
Polar Surface Area (PSA) 86.99 ChemAxon
Refractivity 35.12 ChemAxon
Polarizability 14.02 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.45 ChemAxon
pKa (strongest basic) -3.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Chondroitinase (Chondroitin lyase) : in Arthrobacter aurescens