(S) -3-Hydroxybutanoic acid (Standard)

Chemical Information
(S)-3-hydroxybutyric acid is the S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. It is a conjugate acid of a (S)-3-hydroxybutyrate. It is an enantiomer of a (R)-3-hydroxybutyric acid.
| CAS Number | 6168-83-8 |
| PubChem CID | 94318 |
| IUPAC Name | (3S)-3-hydroxybutanoic acid |
| Molecular Formula | C4H8O3 |
| Molecular Weight | 104.10 |
| XLogP | -0.5 |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 69 |
| Property | Value |
|---|---|
| Molecular Weight | 104.10 |
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 104.047344113 |
| Monoisotopic Mass | 104.047344113 |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 69.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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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