Pentadecyl tritriacontanoate
PubChem CID: 102507264
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| Compound Synonyms | SCHEMBL26121380 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCCC |
| Heavy Atom Count | 50.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadecyl tritriacontanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 23.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C48H96O2 |
| Inchi Key | IEVSCQNCFQDVFI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 46.0 |
| Synonyms | pentadecyl tritriacontanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Pentadecyl tritriacontanoate |
| Exact Mass | 704.741 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 704.741 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 705.3 |
| 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/C48H96O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48(49)50-47-45-43-41-39-37-35-16-14-12-10-8-6-4-2/h3-47H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCC |
| 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 Artabotrys Hexapetalus (Plant) Rel Props:Reference:ISBN:9770972795006