9,16-Dihydroxyhexadecanoic acid
PubChem CID: 14259006
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 9,16-dihydroxyhexadecanoic acid, 38076-49-2, 9,16-dihydroxy-palmitic acid, Hexadecanoicacid, 9,16-dihydroxy-, Hexadecanoic acid, 9,16-dihydroxy-, 9,16-dihydroxy-hexadecanoic acid, SCHEMBL6838371, DTXSID40959023, CHEBI:179896, XSIHTLJPWOWWPE-UHFFFAOYSA-N, LMFA01050340 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCCCCCCCCCCCCCCC=O)O)))))))))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,16-dihydroxyhexadecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H32O4 |
| Inchi Key | XSIHTLJPWOWWPE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 9,16-dihydroxyhexadecanoic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 9,16-Dihydroxyhexadecanoic acid |
| Exact Mass | 288.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.42 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H32O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20) |
| Smiles | C(CCCC(CCCCCCCO)O)CCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Feronia Limonia (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Limonia Acidissima (Plant) Rel Props:Reference:ISBN:9788171360536