Tetratriacontyl hexadecanoate
PubChem CID: 13908814
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| Compound Synonyms | TETRATRIACONTYL HEXADECANOATE, 84461-48-3, DTXSID30552340, tetratriacontylpalmitate, tetratriacontyl palmitate, tetratriacontanyl palmitate, SCHEMBL1042062, Tetratriacontyl hexadecanoic acid, DTXCID60503123 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCC |
| Heavy Atom Count | 52.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 630.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratriacontyl hexadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 24.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C50H100O2 |
| Inchi Key | RXRMVTCLUMJEEX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 48.0 |
| Synonyms | tetratriacontanyl palmitate, tetratriacontyl hexadecanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Tetratriacontyl hexadecanoate |
| Exact Mass | 732.772 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 732.772 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 733.3 |
| 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/C50H100O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-52-50(51)48-46-44-42-40-38-36-16-14-12-10-8-6-4-2/h3-49H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC |
| 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 Agave Americana (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Senna Spectabilis (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042114