Beta-Tocopherol (Racemic Mixture)

Chemical Information
Beta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. It has a role as a plant metabolite and a food component. It is a tocopherol and a vitamin E.
| CAS Number | 148-03-8 |
| PubChem CID | 6857447 |
| IUPAC Name | (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| Molecular Formula | C28H48O2 |
| Molecular Weight | 416.7 |
| XLogP | 10.3 |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 475 |
| Property | Value |
|---|---|
| Molecular Weight | 416.7 |
| XLogP3 | 10.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 416.365430770 |
| Monoisotopic Mass | 416.365430770 |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 475 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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