1,6-Fructose Diphosphate (Linear Form)

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as glycerone phosphates. These are organic compounds containing a glycerone moiety that carries a phosphate group at the O-1 or O-2 position.

Glycerone phosphates

Organic compounds

Organooxygen compounds

Carbonyl compounds

Ketones

Calculated Property

kind Value Source
logP -1.6 ALOGPS
logS -1.4 ALOGPS
Water Solubility 1.36e+01 g/l ALOGPS
logP -3.5 ChemAxon
IUPAC Name {[(3S,4S,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexyl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name 1,6-di-O-phosphono-D-tagatose ChemAxon
Molecular Weight 340.1157 ChemAxon
Monoisotopic Weight 339.996048936 ChemAxon
SMILES O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O ChemAxon
Molecular Formula C6H14O12P2 ChemAxon
InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1 ChemAxon
InChIKey InChIKey=XPYBSIWDXQFNMH-PQLUHFTBSA-N ChemAxon
Polar Surface Area (PSA) 211.28 ChemAxon
Refractivity 59.31 ChemAxon
Polarizability 25.23 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 10 ChemAxon
H Bond Donor Count 7 ChemAxon
pKa (strongest acidic) 1.01 ChemAxon
pKa (strongest basic) -3.5 ChemAxon
Physiological Charge -4 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Fructose-bisphosphate aldolase A : in Human
  • Fructose-bisphosphate aldolase B : in Human