Arachidyl arachidate
PubChem CID: 89711
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| Compound Synonyms | Arachidyl arachidate, Icosyl icosanoate, Eicosyl eicosanoate, 22432-80-0, Eicosanoic acid, eicosyl ester, eicosanyl eicosanoate, Eicosanoic acid,eicosyl ester, UNII-74971HLF1A, 74971HLF1A, EINECS 244-995-1, N-EICOSYL N-EICOSANOATE, 1-EICOSANOL, EICOSANOATE, DTXSID5066798, WE(20:0/20:0), arachidic acid arachidyl ester, Icosyl icosanoate #, Icosyl icosanoic acid, Arachidyl arachidic acid, Eicosanyl eicosanoic acid, DTXCID9036696, LMFA07010059, HY-165719, NS00027171, Q27266259 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 42.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosyl icosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 19.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H80O2 |
| Inchi Key | VJFBRZCPEBSUHG-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 38.0 |
| Synonyms | eicosanoic acid eicosyl ester, eicosanoic acid,eicosyl ester |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Arachidyl arachidate |
| Exact Mass | 592.616 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 592.616 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 593.1 |
| 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/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC |
| 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 Desmodium Styracifolium (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/8368079