15-Hydroxy-pentacosanoic acid
PubChem CID: 5312784
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| Compound Synonyms | 15-hydroxy-pentacosanoic acid, 15-hydroxypentacosanoic acid, SCHEMBL4105891, CHEBI:165402, LMFA01050217 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCC=O)O)))))))))))))))O |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-hydroxypentacosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H50O3 |
| Inchi Key | JIUVLHYELZYWJO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | 15-hydroxypentacosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 15-Hydroxy-pentacosanoic acid |
| Exact Mass | 398.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.376 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 398.7 |
| Gi Absorption | False |
| 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/C25H50O3/c1-2-3-4-5-6-12-15-18-21-24(26)22-19-16-13-10-8-7-9-11-14-17-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28) |
| Smiles | CCCCCCCCCCC(CCCCCCCCCCCCCC(=O)O)O |
| 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
FOUND_INto/from Butea Monosperma (Plant) Rel Props:Reference:ISBN:9788172362089; ISBN:9788185042145