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Identification
Name Pentanedial
Accession Number DB03266 (EXPT02681)
Type small molecule
Groups experimental
Description

One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative. [PubChem]
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Cross-Linking Reagents
  • Disinfectants
  • Fixatives
CAS number Not Available
Weight Average: 100.1158
Monoisotopic: 100.0524295
Chemical Formula C5H8O2
InChI Key InChIKey=SXRSQZLOMIGNAQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
Plain Text
IUPAC Name
pentanedial
SMILES
O=CCCCC=O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 6.40e+01 g/l ALOGPS
logP 0.93 ALOGPS
logP -0.27 ChemAxon
logS -0.19 ALOGPS
pKa (strongest acidic) 14.48 ChemAxon
pKa (strongest basic) -6.6 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 2 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 34.14 ChemAxon
rotatable bond count 4 ChemAxon
refractivity 26.29 ChemAxon
polarizability 10.33 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 3485 Link_out
PubChem Substance 46505521 Link_out
HET PTD Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22