erythro-6,8-Triacontanediol
PubChem CID: 85096450
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6,8-triacontanediol, erythro-6,8-Triacontanediol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))O)))O |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of the dried flowers of Carthamus tinctorius (safflower). erythro-6,8-Triacontanediol is found in fats and oils and herbs and spices. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontane-6,8-diol |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H62O2 |
| Inchi Key | QJKICUPQKNEBFJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 27.0 |
| State | Solid |
| Synonyms | 6,8-Triacontanediol, 6,8-Triacontanediol, erythro-form, erythro-Form, triacontane-6,8-diol |
| Substituent Name | Fatty alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | erythro-6,8-Triacontanediol |
| Kingdom | Organic compounds |
| Exact Mass | 454.475 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.475 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 454.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H62O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-6-4-2/h29-32H,3-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:ISBN:9788185042145