(5S)-5-pentacosyloxolan-2-one
PubChem CID: 11102176
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-pentacosyloxolan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 13.0 |
| Molecular Formula | C29H56O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYWVQXXACNFXHT-NDEPHWFRSA-N |
| Fcsp3 | 0.9655172413793104 |
| Logs | -5.58 |
| Rotatable Bond Count | 24.0 |
| Logd | 4.315 |
| Compound Name | (5S)-5-pentacosyloxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.428 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 436.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.160243000000003 |
| Inchi | InChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27-29(30)31-28/h28H,2-27H2,1H3/t28-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flourensia Cernua (Plant) Rel Props:Source_db:cmaup_ingredients