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

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyran carboxylic acids. These are compounds containing a pyran ring which bears a carboxylic acid group.

Pyran carboxylic acids

Organic compounds

Organoheterocyclic compounds

Pyrans

Pyran carboxylic acids and derivatives

Calculated Property

kind Value Source
logP -1.9 ALOGPS
logS -0.64 ALOGPS
Water Solubility 5.52e+01 g/l ALOGPS
logP -3.4 ChemAxon
IUPAC Name (2R,4R,5R)-4-hydroxy-5-(sulfooxy)oxane-2-carboxylic acid ChemAxon
Traditional IUPAC Name (2R,4R,5R)-4-hydroxy-5-(sulfooxy)oxane-2-carboxylic acid ChemAxon
Molecular Weight 242.204 ChemAxon
Monoisotopic Weight 242.009637986 ChemAxon
SMILES O[C@@H]1C[C@@H](OC[C@H]1OS(O)(=O)=O)C(O)=O ChemAxon
Molecular Formula C6H10O8S ChemAxon
InChI InChI=1S/C6H10O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h3-5,7H,1-2H2,(H,8,9)(H,10,11,12)/t3-,4-,5-/m1/s1 ChemAxon
InChIKey InChIKey=IRTONBQROPNEJZ-UOWFLXDJSA-N ChemAxon
Polar Surface Area (PSA) 130.36 ChemAxon
Refractivity 43.66 ChemAxon
Polarizability 20.16 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) -2 ChemAxon
pKa (strongest basic) -3.3 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

  • Fibroblast growth factor 2 : in Human
  • Annexin A5 : in Human