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 -0.94 ALOGPS
Water Solubility 3.18e+01 g/l ALOGPS
logP -2.8 ChemAxon
IUPAC Name {[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name heptulose-2-phosphate ChemAxon
Molecular Weight 274.1624 ChemAxon
Monoisotopic Weight 274.04536859 ChemAxon
SMILES C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon
Molecular Formula C7H15O9P ChemAxon
InChI InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1 ChemAxon
Polar Surface Area (PSA) 156.91 ChemAxon
Refractivity 51.82 ChemAxon
Polarizability 22.39 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 1.15 ChemAxon
pKa (strongest basic) -3 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

  • Glycogen phosphorylase, muscle form : in Human