1,28-Octacosanediol
PubChem CID: 54082727
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| Compound Synonyms | 1,28-Octacosanediol, octacosane-1,28-diol, 5848-11-3, SCHEMBL8625706, LMFA05000582 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from apple (Pyrus malus) and oat (Avena sativa) in esterified form. 1,28-Octacosanediol is found in oat and pomes. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosane-1,28-diol |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H58O2 |
| Inchi Key | MOGIDESHHYPDTP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 27.0 |
| State | Solid |
| Synonyms | octacosane-1,28-diol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 1,28-Octacosanediol |
| Kingdom | Organic compounds |
| Exact Mass | 426.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.444 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 426.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H58O2/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30/h29-30H,1-28H2 |
| Smiles | C(CCCCCCCCCCCCCCO)CCCCCCCCCCCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Abroma Augusta (Plant) Rel Props:Reference:ISBN:9788185042084