(5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone
PubChem CID: 10986239
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| Compound Synonyms | (5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone, 54621-96-4, (5R)-5-((1S)-1-Hydroxyethyl)-2(5H)-furanone, DTXSID001261166 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C6H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGMOXLYBBTWIMD-CRCLSJGQSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.285 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.605 |
| Compound Name | (5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 128.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5683873999999998 |
| Inchi | InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h2-5,7H,1H3/t4-,5+/m0/s1 |
| Smiles | C[C@@H]([C@H]1C=CC(=O)O1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients