3-Hydroxyhexadecanoate
PubChem CID: 22183159
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-hydroxypalmitate, 3-hydroxyhexadecanoate, beta-Hydroxypalmitate, 3-Hydroxypalmitic acid, beta-Hydroxypalmitic acid, beta-hydroxyhexadecanoate, CHEBI:76613, 3-OH-C16:0(1-), Q27146166 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxyhexadecanoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C16H31O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBWALJHXHCJYTE-UHFFFAOYSA-M |
| Fcsp3 | 0.9375 |
| Logs | -3.953 |
| Rotatable Bond Count | 13.0 |
| Logd | 2.691 |
| Compound Name | 3-Hydroxyhexadecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.227 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 271.227 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 271.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.147410199999999 |
| Inchi | InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/p-1 |
| Smiles | CCCCCCCCCCCCCC(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