Home Other Building Blocks 4-Pyridoxic acid

4-Pyridoxic acid

CAS No.:
82-82-6
Catalog Number:
AG003M0M
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG003M0M
Chemical Name:
4-Pyridoxic acid
CAS Number:
82-82-6
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD00006334
IUPAC Name:
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
InChI Key:
HXACOUQIXZGNBF-UHFFFAOYSA-N
SMILES:
OCc1cnc(c(c1C(=O)O)O)C
EC Number:
201-440-8
UNII:
5K18793O8D
NSC Number:
41814
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
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Simultaneous fluorometric resolution of pyridoxal, pyridoxamine and 4-pyridoxic acid using chemometric methods. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20070401
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Multianalyte quantification of vitamin B6 and B2 species in the nanomolar range in human plasma by liquid chromatography-tandem mass spectrometry. Clinical chemistry 20050701
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Optimisation and validation of a sensitive high-performance liquid chromatography assay for routine measurement of pyridoxal 5-phosphate in human plasma and red cells using pre-column semicarbazide derivatisation. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030725
The status of plasma homocysteine and related B-vitamins in healthy young vegetarians and nonvegetarians. European journal of nutrition 20030401
Pyridoxal phosphate decreases in plasma but not erythrocytes during systemic inflammatory response. Clinical chemistry 20030301
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Sensitivity to meat protein intake and hyperoxaluria in idiopathic calcium stone formers. Kidney international 20010601
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