1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).

Sulfuric acid monoesters

Organic compounds

Organic acids and derivatives

Organic sulfuric acids and derivatives

Sulfuric acid esters

Calculated Property

kind Value Source
logP -1.8 ALOGPS
logS -0.86 ALOGPS
Water Solubility 3.32e+01 g/l ALOGPS
logP -3.6 ChemAxon
IUPAC Name (3R,4R)-4-hydroxy-3-(sulfooxy)-3,4-dihydro-2H-pyran-6-carboxylic acid ChemAxon
Traditional IUPAC Name (4R,5R)-4-hydroxy-5-(sulfooxy)-5,6-dihydro-4H-pyran-2-carboxylic acid ChemAxon
Molecular Weight 240.188 ChemAxon
Monoisotopic Weight 239.993987922 ChemAxon
SMILES O[C@@H]1C=C(OC[C@H]1OS(O)(=O)=O)C(O)=O ChemAxon
Molecular Formula C6H8O8S ChemAxon
InChI InChI=1S/C6H8O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h1,3,5,7H,2H2,(H,8,9)(H,10,11,12)/t3-,5-/m1/s1 ChemAxon
InChIKey InChIKey=SLBOXLMLDIGNGG-NQXXGFSBSA-N ChemAxon
Polar Surface Area (PSA) 130.36 ChemAxon
Refractivity 45.11 ChemAxon
Polarizability 19.36 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) -2.1 ChemAxon
pKa (strongest basic) -3.4 ChemAxon
Physiological Charge -2 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

  • Annexin A5 : in Human
  • Fibroblast growth factor 2 : in Human
  • Heparan sulfate glucosamine 3-O-sulfotransferase 3A1 : in Human