(S)-5-((R)-1-Hydroxyethyl)dihydrofuran-2(3H)-one
PubChem CID: 11040727
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| Compound Synonyms | DTXSID701018184, (S)-5-((R)-1-Hydroxyethyl)dihydrofuran-2(3H)-one, rel-(5S)-Dihydro-5-[(1R)-1-hydroxyethyl]-2(3H)-furanone, 89195-92-6 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S)-5-[(1R)-1-hydroxyethyl]oxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C6H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBLZKAKKJPDYKJ-UHNVWZDZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.051 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.404 |
| Compound Name | (S)-5-((R)-1-Hydroxyethyl)dihydrofuran-2(3H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 130.139 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5808865999999999 |
| Inchi | InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1 |
| Smiles | C[C@H]([C@@H]1CCC(=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