Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Monosaccharide phosphates

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates


Calculated Property

kind Value Source
logP -2.1 ALOGPS
logS -0.74 ALOGPS
Water Solubility 3.86e+01 g/l ALOGPS
logP -2.1 ChemAxon
IUPAC Name {[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 214.1104 ChemAxon
Monoisotopic Weight 214.024239218 ChemAxon
SMILES O[C@@H]1CO[C@H](COP(O)(O)=O)[C@H]1O ChemAxon
Molecular Formula C5H11O7P ChemAxon
InChI InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4-,5+/m1/s1 ChemAxon
Polar Surface Area (PSA) 116.45 ChemAxon
Refractivity 39.8 ChemAxon
Polarizability 17.37 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 1.23 ChemAxon
pKa (strongest basic) -3.5 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

  • 2-dehydro-3-deoxyphosphooctonate aldolase : in Shigella flexneri