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 -0.92 ALOGPS
Water Solubility 3.14e+01 g/l ALOGPS
logP -3.1 ChemAxon
IUPAC Name {[(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name α-D-glucose-6-phosphate ChemAxon
Molecular Weight 260.1358 ChemAxon
Monoisotopic Weight 260.029718526 ChemAxon
SMILES O[C@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon
Molecular Formula C6H13O9P ChemAxon
InChI InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m0/s1 ChemAxon
Polar Surface Area (PSA) 156.91 ChemAxon
Refractivity 46.8 ChemAxon
Polarizability 20.86 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 1.22 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 6-phospho-beta-galactosidase : in Lactococcus lactis subsp. lactis