5-Hydroxy-3,4,5-trimethyluran-2-one
PubChem CID: 95705933
Connections displayed (default: 10).
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| Compound Synonyms | CHEBI:197722, 5-hydroxy-3,4,5-trimethyluran-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-hydroxy-3,4,5-trimethylfuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C7H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCXQZXGUFOMZPQ-ZETCQYMHSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.371 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.415 |
| Compound Name | 5-Hydroxy-3,4,5-trimethyluran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 142.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8158547999999998 |
| Inchi | InChI=1S/C7H10O3/c1-4-5(2)7(3,9)10-6(4)8/h9H,1-3H3/t7-/m0/s1 |
| Smiles | CC1=C([C@@](OC1=O)(C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Suberosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhodiola Rosea (Plant) Rel Props:Source_db:cmaup_ingredients