24-Hydroxyoctacosan-4-One
PubChem CID: 49797799
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| Compound Synonyms | 24-HYDROXYOCTACOSAN-4-ONE, 113578-15-7, DTXSID00678566, CHEMBL1171344, DTXCID40629315 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 24-hydroxyoctacosan-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 11.1 |
| Molecular Formula | C28H56O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MTVMCAVIRSCQSX-UHFFFAOYSA-N |
| Fcsp3 | 0.9642857142857144 |
| Logs | -6.674 |
| Rotatable Bond Count | 25.0 |
| Logd | 4.975 |
| Compound Name | 24-Hydroxyoctacosan-4-One |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.428 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 424.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.803874800000001 |
| Inchi | InChI=1S/C28H56O2/c1-3-5-24-28(30)26-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25-27(29)23-4-2/h28,30H,3-26H2,1-2H3 |
| Smiles | CCCCC(CCCCCCCCCCCCCCCCCCCC(=O)CCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haloxylon Salicornicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all