4-Pyridoxolactone

Base Information

• Chemical Name: 4-Pyridoxolactone
• CAS No.: 4753-19-9
• Molecular Formula: C8H7 N O3
• Molecular Weight: 165.15
• European Community (EC) Number: 809-342-2
• UNII: Y53BC7V3FD
• DSSTox Substance ID: DTXSID60197187
• Nikkaji Number: J101.559A
• Wikidata: Q27102121
• Metabolomics Workbench ID: 38339
• Mol file: 4753-19-9.mol

Synonyms:4-pyridoxic acid lactone

Chemical Property of 4-Pyridoxolactone

Chemical Property:

• Vapor Pressure: 7.97E-13mmHg at 25°C
• Boiling Point: 552.7°Cat760mmHg
• Flash Point: 288.1°C
• PSA: 59.42000
• Density: 1.448g/cm³
• LogP: 0.76600
• Storage Temp.: -20°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Pyridoxolactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C2COC(=O)C2=C1O
• Uses: 4-Pyridoxolactone is an intermediate in synthesizing Vitamin B6 Oxo-4-(N-butanoic Acid)-N-hydroxysuccinimide (V675635), which is a vitamin B6 related compound (P991735), and also a derivative compound of Vitamin B6 4-(N-Butanoic Acid)-N-hydroxysuccinimide (V675630). Vitamin B6 4-(N-Butanoic Acid)-N-hydroxysuccinimide (V675630) is a useful synthetic intermediate and a related compound of thiamine (T344185).?Thiamine or vitamin B1 is an essential nutrient required for carbohydrate metabolism and it is also involved in nerve function.