(S)-3,4-Dihydroxybutyric acid
PubChem CID: 10920498
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| Compound Synonyms | 51267-44-8, (S)-3,4-Dihydroxybutyric acid, (S)-3,4-Dihydroxybutanoic acid, (3S)-3,4-dihydroxybutanoic acid, 3S,4-dihydroxy-butyric acid, 3S,4-dihydroxy-butanoic acid, 3,4-DIHYDROXY-BUTANOIC ACID, Butanoic acid, 3,4-dihydroxy-, (3S)-, deoxythreonic acid, SCHEMBL3447372, (S)-3,4-DHBA, CHEBI:137814, DZAIOXUZHHTJKN-VKHMYHEASA-N, DTXSID501304713, LMFA01050378, AKOS006375852, HY-113304, CS-0059554, (S)-3,4-Dihydroxybutyric acid lithium salt hydrate, >=95.0% (GC) |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3,4-dihydroxybutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C4H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZAIOXUZHHTJKN-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Logs | 0.545 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.379 |
| Compound Name | (S)-3,4-Dihydroxybutyric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 120.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 120.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6087552000000003 |
| Inchi | InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)/t3-/m0/s1 |
| Smiles | C([C@@H](CO)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients