19-Hydroxyhexatriacontan-18-one
PubChem CID: 14237691
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| 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 | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCCCCCC)))))))))))))))))O |
| Heavy Atom Count | 38.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 19-hydroxyhexatriacontan-18-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H72O2 |
| Inchi Key | LUPUFBOLZLVYOI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 33.0 |
| Synonyms | 19-hydroxyhexatriacontan-18-one |
| Esol Class | Insoluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 19-Hydroxyhexatriacontan-18-one |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37H,3-34H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCCCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Mansoa Alliacea (Plant) Rel Props:Reference:ISBN:9770972795006