Anteisoheptacosan-1-ol
PubChem CID: 85975961
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| Compound Synonyms | Anteisoheptacosan-1-ol, HDHVOYLIGDWPEG-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HDHVOYLIGDWPEG-UHFFFAOYSA-N |
| Rotatable Bond Count | 24.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | Anteisoheptacosan-1-ol |
| Description | Anteisoheptacosan-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Anteisoheptacosan-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Anteisoheptacosan-1-ol can be found in brussel sprouts, which makes anteisoheptacosan-1-ol a potential biomarker for the consumption of this food product. |
| Exact Mass | 396.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.433 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 396.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylhexacosan-1-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(2)26-28/h27-28H,3-26H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC(C)CO |
| Xlogp | 13.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H56O |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all