Nonacosan-10-ol
PubChem CID: 25240035
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| Compound Synonyms | Nonacosan-10-ol, 504-55-2, 10-nonacosanol, 8OKH624Z3B, (+-)-10-Nonacosanol, (+/-)-10-nonacosanol, UNII-8OKH624Z3B, NSC 380686, NSC-380686, (S)-10-Nonacosanol, SCHEMBL547167, CHEBI:7611, DTXSID00649438, GINNOL, (+/-)-, CPGCVOVWHCWVTP-UHFFFAOYSA-N, LMFA05000098, NSC380686, STL564708, 10-NONACOSANOL, (+/-)-, AKOS030489432, Q27107540 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Wax from Ginkgo biloba (ginkgo). (S)-10-Nonacosanol is found in fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosan-10-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 14.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C29H60O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPGCVOVWHCWVTP-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.482 |
| Rotatable Bond Count | 26.0 |
| State | Solid |
| Logd | 4.994 |
| Synonyms | 10-Nonacosanol |
| Substituent Name | Long chain fatty alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Compound Name | Nonacosan-10-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.464 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.464 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 424.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -9.5966476 |
| Inchi | InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all