Hexacosyl hexacosanoate
PubChem CID: 5315796
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| Compound Synonyms | hexacosyl hexacosanoate, 10210-18-1, hexacosylhexacosanoate, SCHEMBL2573780 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 54.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 659.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexacosyl hexacosanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 26.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C52H104O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZZYOHURAFAUTB-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.9807692307692308 |
| Logs | -4.245 |
| Rotatable Bond Count | 50.0 |
| Logd | 2.533 |
| Synonyms | hexacosanyl hexacosanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Hexacosyl hexacosanoate |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -17.6469924 |
| Inchi | InChI=1S/C52H104O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-54-52(53)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Sagittatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tricholepis Glaberrima (Plant) Rel Props:Reference:ISBN:9788185042084