3-Hydroxytetradecanoate
PubChem CID: 22053132
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| Compound Synonyms | 3-hydroxytetradecanoate, 3-hydroxymyristate, beta-hydroxymyristate, 3-hydroxy myristic acid, 3-hydroxytetradecanoate(1-), CHEBI:84197, Q27157570 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxytetradecanoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C14H27O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATRNZOYKSNPPBF-UHFFFAOYSA-M |
| Fcsp3 | 0.9285714285714286 |
| Logs | -3.481 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.263 |
| Compound Name | 3-Hydroxytetradecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 243.196 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 243.196 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 243.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4187753999999995 |
| Inchi | InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/p-1 |
| Smiles | CCCCCCCCCCCC(CC(=O)[O-])O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients