Nonacosan-12-ol
PubChem CID: 91184113
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | nonacosan-12-ol, SCHEMBL17336081 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | SNRLCXQLRQLJNF-UHFFFAOYSA-N |
| Rotatable Bond Count | 26.0 |
| Synonyms | 13-Nonacosanol |
| Heavy Atom Count | 30.0 |
| Compound Name | Nonacosan-12-ol |
| Description | Nonacosan-13-ol is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Nonacosan-13-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Nonacosan-13-ol can be found in common pea, which makes nonacosan-13-ol a potential biomarker for the consumption of this food product. |
| Exact Mass | 424.464 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.464 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 424.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosan-12-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H60O/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-29(30)27-25-23-21-19-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(CCCCCCCCCCC)O |
| Xlogp | 14.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H60O |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all