Heptadecyl octadecanoate
PubChem CID: 289805
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| Compound Synonyms | heptadecyl octadecanoate, 18299-82-6, octadecanoic acid heptadecyl ester, Octadecanoic acid, heptadecyl ester, heptadecyl stearate, DTXSID70302604, heptadecanyl stearate, NSC152077, Heptadecyl octadecanoic acid, SCHEMBL365930, DTXCID20253738, NSC-152077, HY-166058 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadecyl octadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H70O2 |
| Inchi Key | GWFGDXZQZYMSMJ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 33.0 |
| Synonyms | heptadecyl octadecanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Heptadecyl octadecanoate |
| Exact Mass | 522.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.538 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 522.9 |
| 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/C35H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC |
| 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 Cissus Quadrangularis (Plant) Rel Props:Reference:ISBN:9788185042145