(R)-acetoin
PubChem CID: 439314
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| Compound Synonyms | (R)-acetoin, (3R)-3-hydroxybutan-2-one, (R)-dimethylketol, (R)-2-acetoin, (R)-3-hydroxy-2-butanone, 53584-56-8, (-)-acetoin, (R)-3-hydroxybutan-2-one, D-(-)-acetoin, R,3-HYDROXYBUTAN-2-ONE, 3R-Hydroxybutan-2-one, 2-Butanone, 3-hydroxy-, (3R)-, 2-Butanone, 3-hydroxy-, (R)-, d-acetoin, r-acetoin, (R)-(-)-Acetoin, (-)-3-Hydroxybutan-2-one, levorotatory acetoin, (R)-acetylmethylcarbinol, (R)-3-hydroxy-butan-2-one, CHEBI:15686, LMFA12000064, DB04364, C00810, Q27098190 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Description | Constituent of butter and produced by many microorganisms [DFC] Acetoin is a colorless or pale yellow to green yellow liquid with a pleasant, buttery odor. Acetoin is used as an external energy store by a number of fermentive bacteria. Acetoin, along with diacetyl, is one of the compounds giving butter its characteristic flavor. Acetoin is used as a food flavoring (in baked goods) and a fragrance. It can be found in apples, butter, yogurt, asparagus, black currants, blackberry, wheat, broccoli, brussels sprouts, cantaloupe. [Wikipedia]. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 58.6 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-hydroxybutan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C4H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROWKJAVDOGWPAT-GSVOUGTGSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 1.0 |
| State | liquid |
| Synonyms | (R)-3-Hydroxy-2-butanone, (R)-Acetoin, 3-Hydroxybutanone, Acetyl methyl carbinol |
| Compound Name | (R)-acetoin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.0524 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0524 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 88.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.13125720000000002 |
| Inchi | InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1 |
| Smiles | C[C@H](C(=O)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients