Antioxidant MD-697

Inquiry

Molecular Formula:

C40H60N2O8

Molecular Weight:

696.91

CAS Number:

70331-94-1

Catalog Number:

70331-94-1

Product Information

Molecular Formula:

C40H60N2O8

Molecular Weight:

696.91

Description

Antioxidant is a group of organic or inorganic substances capable of preventing the genotoxic and carcinogenic effects of free-radical compounds. Antioxidants bind to and neutralize ('scavenge') free radicals, thereby transforming them into non-toxic compounds and blocking their genotoxic and carcinogenic effects. This class of agents includes the vitamins C and E, the carotenoids, and selenium. Organic antioxidants are found in high concentrations in fruits, seeds and vegetables.

Synonyms

3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester; (1,2-dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate); 2-[[2-[3-(4-hydroxy-3,5-ditert-butyl-phenyl)pro

IUPAC Name

2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)

InChI Key

OXWDLAHVJDUQJM-UHFFFAOYSA-N

Melting Point

180 °C

Purity

95%

Density

1.105 g/cm3

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

8.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

696.43496688 g/mol

Monoisotopic Mass

696.43496688 g/mol

Topological Polar Surface Area

151Å²

Heavy Atom Count

Formal Charge

Complexity

990

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Antioxidant MD-697

Product Information

Computed Properties

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