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66-72-8

66-72-8 structural image
Product Name: pyridoxal
Formula: C8H9NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 165 °C
Solubility 500000 mg/L
Vapor Pressure 0.00000162 [mmHg]
LogP 0
Ionization Efficiency Positive
Collision Cross Section 130.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Chemical Classes Biological Agents -> Vitamins and Derivatives

COMPUTED DESCRIPTORS

Molecular Weight 167.16 g/mol
XLogP3 0
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 167.058243149 g/mol
Monoisotopic Mass 167.058243149 g/mol
Topological Polar Surface Area 70.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 162
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pyridoxal is a pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. It has a role as a cofactor, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a vitamin B6, a pyridinecarbaldehyde, a member of methylpyridines, a monohydroxypyridine and a hydroxymethylpyridine. It is a conjugate base of a pyridoxal(1+).