Methyl Pentacosanoate
PubChem CID: 41431
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| Compound Synonyms | Methyl pentacosanoate, 55373-89-2, Pentacosanoic acid methyl ester, Pentacosanoic acid, methyl ester, EINECS 259-617-0, DTXSID90203922, Methyl pentacosanoate #, Methyl pentacosanoic acid, SCHEMBL3505522, DTXCID20126413, CHEBI:151104, HMS3649L08, MFCD00048674, AKOS025243263, Methyl pentacosanoate, analytical standard, HY-120977, CS-0079770, NS00033306, SR-01000946733, SR-01000946733-1, A54064E3-AC5B-482D-BD24-6596FCD48D2E, 259-617-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC=O)OC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl pentacosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H52O2 |
| Inchi Key | WOPKHAQDUMDJIY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 24.0 |
| Synonyms | methyl pentacosanoate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Methyl Pentacosanoate |
| Exact Mass | 396.397 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.397 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 396.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Adscendens (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1487