Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate
Product Information
Molecular Formula
C19H33O4P
Molecular Weight
356.44
Description
Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate is a robust antioxidant employed in the biomedical domain. It showcases extraordinary efficacy in counteracting free radicals, effectively mitigating oxidative stress and thwarting cellular harm. Renowned for its immense therapeutic capabilities, this compound finds extensive application in the formulation of pharmacological agents, specifically designed to combat diverse maladies that stem from oxidative stress, encompassing neurodegenerative ailments, cardiovascular afflictions, and malignancies.
Synonyms
[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-phosphonicacidiethyl; Diethyl3,5-di-tert-buty-4-hydroxy-ben-zylphosphonate; Irganox1222; Phosphonicacid,[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-,diethylester; diethyl 3,5-di-tert-butyl-4-hydro
IUPAC Name
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol
SMILES
CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC
InChI
InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3
InChI Key
GJDRKHHGPHLVNI-UHFFFAOYSA-N
Melting Point
122 °C
Purity
>98.0%(HPLC)
Density
1.046g/cm3
Appearance
White to Almost white powder to crystal
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
356.21164653 g/mol
Monoisotopic Mass
356.21164653 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
402
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
