Geddate
PubChem CID: 25201964
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| Compound Synonyms | geddate, tetratriacontanoate, gheddate, geddate(1-), tetratriacontanoate(1-), CHEBI:76027, Q27145684 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)[O-] |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratriacontanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C34H67O2- |
| Inchi Key | UTGPYHWDXYRYGT-UHFFFAOYSA-M |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 31.0 |
| Synonyms | geddate, tetratriacontanoate |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)[O-] |
| Compound Name | Geddate |
| Exact Mass | 507.514 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 507.514 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 507.9 |
| 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/C34H68O2/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/h2-33H2,1H3,(H,35,36)/p-1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[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 Helicteres Isora (Plant) Rel Props:Reference:ISBN:9780387706375