20-Hydroxyicosanoic acid
PubChem CID: 5282919
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| Compound Synonyms | 20-hydroxyicosanoic acid, 62643-46-3, 20-HYDROXYEICOSANOIC ACID, 20-hydroxy-eicosanoicacid, 20-hydroxy-eicosanoic acid, 20-Hydroxy arachidic acid, LMFA01050075, 20-hydroxyarachidic acid, omega-hydroxyarachidic acid, omega-hydroxyicosanoic acid, SCHEMBL401769, CHEBI:79190, JLDIWYKSFMPIDW-UHFFFAOYSA-N, MFCD02259050, AKOS040754778, BS-46427, PD078031, HY-124311, E83921, Q27148258 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 20-hydroxyicosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O3 |
| Inchi Key | JLDIWYKSFMPIDW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 20-hydroxyeicosanoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 20-Hydroxyicosanoic acid |
| Exact Mass | 328.298 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.298 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 328.5 |
| Gi Absorption | True |
| 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/C20H40O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h21H,1-19H2,(H,22,23) |
| Smiles | C(CCCCCCCCCC(=O)O)CCCCCCCCCO |
| 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
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