(S)-2-Hydroxybutyric acid
PubChem CID: 440864
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| Compound Synonyms | 3347-90-8, (S)-2-Hydroxybutyric acid, (S)-2-hydroxybutanoic acid, (2S)-2-hydroxybutanoic acid, 2-Hydroxybutyrate, Butanoic acid, 2-hydroxy-, (2S)-, 2-Hydroxybutyric acid, (+)-, (S)-(+)-2-Hydroxybutanoic acid, S-2-hydroxybutyric acid, L-2-hydroxybutyric acid, 2S-Hydroxybutanoic acid, 2S-hydroxy-butanoic acid, L-2-hydroxybutanoic acid, MFCD01318568, a-Hydroxybutyric acid, L-alpha-hydroxybutyric acid, (+)-2-hydroxybutyric acid, L-alpha-hydroxybutanoic acid, CHEBI:50613, 8X9IM06H49, DTXSID001312294, Hydroxybutyric acid, alpha-Hydroxybutanoate, UNII-8X9IM06H49, a-Hydroxybutyrate, a-Hydroxybutanoate, 2-hydroxy-Butanoate, DL-a-Hydroxybutyrate, a-Hydroxy-n-butyrate, 2-Hydroxy-n-butyrate, a-Hydroxybutanoic acid, DL-2-Hydroxybutanoate, 2-hydroxy-DL-Butyrate, alpha-hydroxy-n-butyrate, DL-alpha-Hydroxybutyrate, (RS)-2-Hydroxybutyrate, DL-a-Hydroxybutyric acid, a-Hydroxy-n-butyric acid, 2-Hydroxy-n-butyric acid, (S)-2-hydroxybutanoicacid, 2-hydroxy-DL-Butyric acid, DL-alpha-Hydroxybutyric acid, (+)-2-Hydroxybutanoic acid, SCHEMBL193026, (+)-alpha-hydroxybutyric acid, DTXCID001742093, BBL103624, LMFA01050342, STL557434, AKOS015995014, CS-W019285, FH52287, HY-W018499, DS-12665, C05984, EN300-115522, (S)-a-Hydroxybutyric acid, L-2-Hydroxybutyric acid, Q27887417, (S)-2-Hydroxybutyric acid, for chiral derivatization, >=97.0%, 628-477-6 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxybutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C4H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFENDNXGAFYKQO-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Logs | -3.183 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.006 |
| Compound Name | (S)-2-Hydroxybutyric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3912509999999998 |
| Inchi | InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 |
| Smiles | CC[C@@H](C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients