Ceroplastic acid
PubChem CID: 5282595
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| Compound Synonyms | Ceroplastic acid, pentatriacontanoic acid, 38232-05-2, n-pentatriacontanoic acid, M78J737BEQ, UNII-M78J737BEQ, C35:0, SCHEMBL336639, DTXSID50415221, CHEBI:165440, HVUCKZJUWZBJDP-UHFFFAOYSA-N, LMFA01010035, FA 35:0, FA(35:0), Q2823251 |
|---|---|
| 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 | Hydroxy fatty acids, Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentatriacontanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H70O2 |
| Inchi Key | HVUCKZJUWZBJDP-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 33.0 |
| Synonyms | pentatriacontanoic acid |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)O |
| Compound Name | Ceroplastic acid |
| Exact Mass | 522.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.538 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 522.9 |
| 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/C35H70O2/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/h2-34H2,1H3,(H,36,37) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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 Strobilanthes Callosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084