2-Deoxy-2-Amino Glucitol-6-Phosphate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.

Monoalkyl phosphates

Organic compounds

Organophosphorus compounds

Organic phosphoric acids and derivatives

Phosphate esters

Calculated Property

kind Value Source
logP -2.7 ALOGPS
logS -1 ALOGPS
Water Solubility 2.55e+01 g/l ALOGPS
logP -5 ChemAxon
IUPAC Name {[(2R,3R,4S,5R)-5-amino-2,3,4,6-tetrahydroxyhexyl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2R,3R,4S,5R)-5-amino-2,3,4,6-tetrahydroxyhexyl]oxyphosphonic acid ChemAxon
Molecular Weight 261.1669 ChemAxon
Monoisotopic Weight 261.061353005 ChemAxon
SMILES N[C@H](CO)[C@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O ChemAxon
Molecular Formula C6H16NO8P ChemAxon
InChI InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4-,5+,6+/m1/s1 ChemAxon
InChIKey InChIKey=LBNVXZROMBUNNQ-ZXXMMSQZSA-N ChemAxon
Polar Surface Area (PSA) 173.7 ChemAxon
Refractivity 50.93 ChemAxon
Polarizability 22.06 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 7 ChemAxon
pKa (strongest acidic) 1.49 ChemAxon
pKa (strongest basic) 8.61 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glucosamine-6-phosphate isomerase 1 : in Human
  • Glucosamine-6-phosphate deaminase : in Escherichia coli (strain K12)
  • Glutamine–fructose-6-phosphate aminotransferase [isomerizing] : in Escherichia coli (strain K12)