(5S)-5-docosyloxolan-2-one
PubChem CID: 10992904
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-docosyloxolan-2-one |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 11.4 |
| Is Pains | False |
| Molecular Formula | C26H50O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWOWNYUWWHKUCK-VWLOTQADSA-N |
| Fcsp3 | 0.9615384615384616 |
| Rotatable Bond Count | 21.0 |
| Compound Name | (5S)-5-docosyloxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.381 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 394.381 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 394.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.0767408 |
| Inchi | InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3/t25-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flourensia Cernua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Saussurea Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients