15-Oxo-octacosanoic acid
PubChem CID: 123860937
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| Compound Synonyms | 15-oxo-octacosanoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxo fatty acids |
| Deep Smiles | CCCCCCCCCCCCCC=O)CCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-oxooctacosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H54O3 |
| Inchi Key | HZEJJPZFBIZCKM-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 26.0 |
| Synonyms | 15-oxo-octacosanoic acid, 15-oxo-octacosanoic-acid, 15-oxooctacosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O, CC(C)=O |
| Compound Name | 15-Oxo-octacosanoic acid |
| Exact Mass | 438.407 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.407 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 438.7 |
| 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/C28H54O3/c1-2-3-4-5-6-7-9-12-15-18-21-24-27(29)25-22-19-16-13-10-8-11-14-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31) |
| Smiles | CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC(=O)O |
| 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 Cheilocostus Speciosus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279