5-Hydroxyvalproic acid

Base Information

• Chemical Name: 5-Hydroxyvalproic acid
• CAS No.: 53660-23-4
• Molecular Formula: C8H16O3
• Molecular Weight: 160.21
• Hs Code.: 2918199090
• European Community (EC) Number: 809-329-1
• DSSTox Substance ID: DTXSID90968428
• Nikkaji Number: J362.524I
• Wikidata: Q27149682
• Metabolomics Workbench ID: 42520
• ChEMBL ID: CHEMBL3706505
• Mol file: 53660-23-4.mol

Synonyms:5-hydroxy-valproate;5-hydroxyvalproate;5-hydroxyvalproic acid;5-OH-VPA

Chemical Property of 5-Hydroxyvalproic acid

Chemical Property:

• Vapor Pressure: 0.000214mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 291.2 °C at 760 mmHg
• PKA: 4.75±0.40(Predicted)
• Flash Point: 144.1 °C
• PSA: 57.53000
• Density: 1.046 g/cm³
• LogP: 1.25980
• Storage Temp.: Store under Inert atmosphere -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated), Water (Slightly, Sonica
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

2-PROPYL-5-HYDROXYPENTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCCO)C(=O)O
• Uses: A metabolite of Valproic Acid. This compounds contains an undetermied amount of water and the analogous lactone