Triacontyl tetracosanoate
PubChem CID: 5319355
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| Compound Synonyms | triacontyl tetracosanoate, myricyl lignocerate, 36283-90-6, Triacontyl lignocerate, Tetracosanoic acid, triacontyl ester, 04ZQ2HSG1L, UNII-04ZQ2HSG1L, DTXSID40415750, triacontyltetracosanoate, Triacontyl tetracosanoic acid, SCHEMBL10614311, DTXCID20366599, AKOS024391058 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 56.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 688.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontyl tetracosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 27.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C54H108O2 |
| Inchi Key | JFWJJUJNMBUSTI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 52.0 |
| Synonyms | triacontyl tetracosanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Triacontyl tetracosanoate |
| Exact Mass | 788.835 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 788.835 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 789.4 |
| 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 |
| Inchi | InChI=1S/C54H108O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-56-54(55)52-50-48-46-44-42-40-38-36-34-32-24-22-20-18-16-14-12-10-8-6-4-2/h3-53H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| 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 Taxus Baccata (Plant) Rel Props:Reference:ISBN:9788172363093