(2S,3S)-3-hydroxy-2-methylbutanoic acid
PubChem CID: 11966260
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| Compound Synonyms | (2S,3S)-3-hydroxy-2-methylbutanoic acid, 84567-98-6, 3-HYDROXY-2-METHYL-(2S,3S)-BUTANOIC ACID, 3S-hydroxy-2S-methyl-butanoic acid, SCHEMBL2687210, CHEBI:37052, DTXSID90474897, JDA56798, LMFA01050394, AKOS006377036, (2S,3S)-3-hydroxy-2-methylbutyric acid, DB-289816, Q27117025 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3S)-3-hydroxy-2-methylbutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C5H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEXDRERIMPLZLU-IMJSIDKUSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.695 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.236 |
| Compound Name | (2S,3S)-3-hydroxy-2-methylbutanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.46561839999999977 |
| Inchi | InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m0/s1 |
| Smiles | C[C@@H]([C@H](C)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients