22-Oxononacosanoic acid
PubChem CID: 71330298
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| Compound Synonyms | 22-Oxononacosanoic acid, 94271-09-7, DTXSID30759019, DTXCID40709762 |
|---|---|
| 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 | CCCCCCCC=O)CCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 22-oxononacosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H56O3 |
| Inchi Key | MWZLKRIGGKHYEA-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | 22-oxo-nonacosanoic acid, 22-oxononacosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O, CC(C)=O |
| Compound Name | 22-Oxononacosanoic acid |
| Exact Mass | 452.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.423 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 452.8 |
| 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/C29H56O3/c1-2-3-4-19-22-25-28(30)26-23-20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-24-27-29(31)32/h2-27H2,1H3,(H,31,32) |
| Smiles | CCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC(=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 Cryptocoryne Spiralis (Plant) Rel Props:Reference:ISBN:9788172362140