2(3H)-Furanone, dihydro-5-[(1S)-1-hydroxytridecyl]-, (5R)-
PubChem CID: 11748091
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| Compound Synonyms | 171484-85-8, 2(3H)-Furanone, dihydro-5-[(1S)-1-hydroxytridecyl]-, (5R)-, DTXSID90471846 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C17H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFLQJBVJJLGBKM-JKSUJKDBSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -5.502 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.968 |
| Compound Name | 2(3H)-Furanone, dihydro-5-[(1S)-1-hydroxytridecyl]-, (5R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.434028 |
| Inchi | InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16+/m0/s1 |
| Smiles | CCCCCCCCCCCC[C@@H]([C@H]1CCC(=O)O1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Papaver Nudicaule (Plant) Rel Props:Source_db:cmaup_ingredients