1-Deoxy-D-xylulose 5-phosphate

Status : experimental

Description

1-Deoxy-D-xylulose 5-phosphate is a solid. This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. The proteins that 1-Deoxy-D-xylulose 5-phosphate targets include 1-Deoxy-D-xylulose 5-phosphate reductoisomerase and pyridoxine 5′-phosphate synthase. 1-Deoxy-D-xylulose 5-phosphate is an intermediate in the non-mevalonate pathway.

Chemical Classification

This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Pentose phosphates

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Monosaccharides

Calculated Property

kind Value Source
logP -1.9 ALOGPS
logS -0.89 ALOGPS
Water Solubility 2.76e+01 g/l ALOGPS
logP -1.9 ChemAxon
IUPAC Name {[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name 1-deoxy-D-xylulose-5-phosphate ChemAxon
Molecular Weight 214.1104 ChemAxon
Monoisotopic Weight 214.024239218 ChemAxon
SMILES CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O ChemAxon
Molecular Formula C5H11O7P ChemAxon
InChI InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1 ChemAxon
InChIKey InChIKey=AJPADPZSRRUGHI-RFZPGFLSSA-N ChemAxon
Polar Surface Area (PSA) 124.29 ChemAxon
Refractivity 40.77 ChemAxon
Polarizability 17.18 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 1.48 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 1-deoxy-D-xylulose 5-phosphate reductoisomerase : in Escherichia coli (strain K12)
  • Pyridoxine 5′-phosphate synthase : in Escherichia coli (strain K12)