Hexatriacontanoic acid
PubChem CID: 5282596
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| Compound Synonyms | hexatriacontanoic acid, Hexatriacontylic acid, 4299-38-1, UNII-WZH710M27F, WZH710M27F, C36:0, n-Hexatriacontansaure, LMFA01010036, SCHEMBL194881, DTXSID70195614, CHEBI:165444, FA 36:0, FA(36:0), Q2823267 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 38.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexatriacontanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H72O2 |
| Inchi Key | LRKATBAZQAWAGV-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 34.0 |
| Synonyms | hexatriacontanoic acid |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)O |
| Compound Name | Hexatriacontanoic acid |
| Exact Mass | 536.553 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 536.553 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 537.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C36H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h2-35H2,1H3,(H,37,38) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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 Panax Pseudoginseng (Plant) Rel Props:Reference:ISBN:9788172362461 - 2. Outgoing r'ship
FOUND_INto/from Pedalium Murex (Plant) Rel Props:Reference:ISBN:9788172361792