rac alpha-Lipoic Acid

Chemical Information
Lipoic acid is a heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. It has a role as a geroprotector and a fundamental metabolite. It is a member of dithiolanes, a heterocyclic fatty acid and a thia fatty acid. It is functionally related to an octanoic acid. It is a conjugate acid of a lipoate.
| CAS Number | 1077-28-7 |
| PubChem CID | 864 |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| Molecular Formula | C8H14O2S2 |
| Molecular Weight | 206.3 |
| XLogP | 1.7 |
| Topological Polar Surface Area | 87.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 150 |
| Property | Value |
|---|---|
| Molecular Weight | 206.3 |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.04352203 |
| Monoisotopic Mass | 206.04352203 |
| Topological Polar Surface Area | 87.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 150 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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