9-Hydroxyoctadecanoic acid
PubChem CID: 9570127
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| Compound Synonyms | 9-HYDROXYOCTADECANOIC ACID, 9-Hydroxystearic acid, 3384-24-5, 9-hydroxy-octadecanoic acid, 10(9)-Hydroxystearic acid, DL-9-hydroxy stearic acid, 25498-28-6, Octadecanoic acid, 9-hydroxy-, 9-hydroxy Stearic Acid, SCHEMBL465907, CHEMBL1093742, GTPL13240, DTXSID60948393, CHEBI:136638, RKHXDCVAPIMDMG-UHFFFAOYSA-N, 9(or 10)-Hydroxyoctadecanoic acid, HY-N11692, LMFA02000127, AKOS000277649, AKOS025399398, DA-60629, PD150705, 18:0(9-OH), CS-0716321, F73266 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Other Octadecanoids |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)O)))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxyoctadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36O3 |
| Inchi Key | RKHXDCVAPIMDMG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 9-Hydroxystearic acid, 9-Hydroxystearate, 9-Hydroxyoctadecanoate, DL-9-Hydroxy stearate, 9-Hydroxystearic acid, (R)-isomer, 9-Hydroxystearic acid, (S)-isomer, 18:0(9-OH), 9-hydroxystearic acid, 9-DL-Hydroxystearic acid, 9-hydroxyoctadecanoic acid, 9-hdyroxystearic acid, 9-hydroxystearic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 9-Hydroxyoctadecanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 300.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) |
| Smiles | CCCCCCCCCC(CCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Octadecanoids |
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