29-Hydroxynonacosan-3-on
PubChem CID: 86055917
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| Compound Synonyms | 29-Hydroxynonacosan-3-on |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Oxygenated hydrocarbons |
| Deep Smiles | OCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 29-hydroxynonacosan-3-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H58O2 |
| Inchi Key | YYEWXQHNUIZMLK-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | 29-hydroxynonacosan-3-one |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 29-Hydroxynonacosan-3-on |
| Exact Mass | 438.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.444 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 438.8 |
| 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/C29H58O2/c1-2-29(31)27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30/h30H,2-28H2,1H3 |
| Smiles | CCC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Persicaria Capitata (Plant) Rel Props:Reference:ISBN:9788185042138