Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

C-glycosyl compounds

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Glycosyl compounds

Calculated Property

kind Value Source
logP -1.5 ALOGPS
logS -1.3 ALOGPS
Water Solubility 1.60e+01 g/l ALOGPS
logP -2.8 ChemAxon
IUPAC Name {[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2S,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 324.1163 ChemAxon
Monoisotopic Weight 324.001134314 ChemAxon
SMILES O[C@@H]1[C@@H](O)[C@H](COP(O)(O)=O)O[C@H]1COP(O)(O)=O ChemAxon
Molecular Formula C6H14O11P2 ChemAxon
InChI InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m0/s1 ChemAxon
Polar Surface Area (PSA) 183.21 ChemAxon
Refractivity 56.64 ChemAxon
Polarizability 24.63 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 9 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 0.93 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
Physiological Charge -4 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

  • Fructose-1,6-bisphosphatase 1 : in Human