(R)-2-hydroxystearic acid
PubChem CID: 439885
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| Compound Synonyms | (R)-2-hydroxystearic acid, (2R)-2-hydroxyoctadecanoic acid, 2R-hydroxy-stearic acid, 2R-hydroxy-octadecanoic acid, (r)-2-hydroxyoctadecanoic acid, 26633-48-7, (R)-2-hydroxyoctadecanoate, SCHEMBL2933185, CHEBI:15913, DTXSID30331450, LMFA02000195, NS00122845, C03042, Q27098295 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-hydroxyoctadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.5 |
| Molecular Formula | C18H36O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIHBGTRZFAVZRV-QGZVFWFLSA-N |
| Fcsp3 | 0.9444444444444444 |
| Logs | -3.687 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.021 |
| Compound Name | (R)-2-hydroxystearic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.252294599999999 |
| Inchi | InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCC[C@H](C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bacopa Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients