Octacosyl tetracosanoate
PubChem CID: 5320253
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| Compound Synonyms | octacosyl tetracosanoate, SCHEMBL9336101 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 54.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 659.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosyl tetracosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 26.0 |
| Molecular Formula | C52H104O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WPLMXUJKYRLYBB-UHFFFAOYSA-N |
| Fcsp3 | 0.9807692307692308 |
| Logs | -5.509 |
| Rotatable Bond Count | 50.0 |
| Logd | 4.521 |
| Compound Name | Octacosyl tetracosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 760.804 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 760.804 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 761.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -17.6469924 |
| Inchi | InChI=1S/C52H104O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-31-33-35-37-39-41-43-45-47-49-51-54-52(53)50-48-46-44-42-40-38-36-34-32-30-24-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients