Tetracosanyl stearate
PubChem CID: 13908816
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| Compound Synonyms | Tetracosanyl stearate, TETRACOSYL OCTADECANOATE, 42232-61-1, Tetracosanyl octadeconoate, Octadecanoic acid, tetracosyl ester, N-Tetracosyl N-octadecanoate, 45V5997828, tetracosanyl octadecanoate, UNII-45V5997828, SCHEMBL8466836, DTXSID60195062, JKKQRJTZBKHHOI-UHFFFAOYSA-N, Q27258869 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosyl octadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 20.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C42H84O2 |
| Inchi Key | JKKQRJTZBKHHOI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 40.0 |
| Synonyms | tetracosanyl octadecanoate, tetracosanyl-octadecanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Tetracosanyl stearate |
| Exact Mass | 620.647 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 620.647 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 621.1 |
| 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/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
| 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 Cheilocostus Speciosus (Plant) Rel Props:Reference:ISBN:9788172362140