1,2,4-Nonadecanetriol
PubChem CID: 10567452
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| Compound Synonyms | 1,2,4-Nonadecanetriol, Nonadecane-1,2,4-triol, 1,2,4-trihydroxynonadecane, Compound NP-022988, CHEMBL480090, SCHEMBL15109987, CHEBI:169806, LMFA05000577, AKOS040737582 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of the unripe fruit of Persea americana (avocado). Cytotoxic agent. 1,2,4-Nonadecanetriol is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonadecane-1,2,4-triol |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C19H40O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BADVLZPPYIABDS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.535 |
| Rotatable Bond Count | 17.0 |
| Logd | 3.499 |
| Compound Name | 1,2,4-Nonadecanetriol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.298 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.298 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7187612 |
| Inchi | InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h18-22H,2-17H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCC(CC(CO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:cmaup_ingredients