Nonacosyl hentriacontanoate
PubChem CID: 71362839
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NONACOSYL HENTRIACONTANOATE, 478309-25-0, DTXSID90786442 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 62.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 777.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosyl hentriacontanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 30.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C60H120O2 |
| Inchi Key | QFXRQLNQFXQWIQ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 58.0 |
| Synonyms | non-acosanyl-hentriacontanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Nonacosyl hentriacontanoate |
| Exact Mass | 872.929 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 872.929 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 873.6 |
| 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 |
| Inchi | InChI=1S/C60H120O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60(61)62-59-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-59H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| 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 Swertia Chirayita (Plant) Rel Props:Reference:ISBN:9788171360536