(E,9R,10S)-6,9,10-trihydroxyoctadec-7-enoic acid
PubChem CID: 44139366
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL562101 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (E,9R,10S)-6,9,10-trihydroxyoctadec-7-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H34O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFPLVZLISLBBSJ-SXCVBOOLSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.67 |
| Rotatable Bond Count | 15.0 |
| Logd | 1.838 |
| Compound Name | (E,9R,10S)-6,9,10-trihydroxyoctadec-7-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.241 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8833829999999994 |
| Inchi | InChI=1S/C18H34O5/c1-2-3-4-5-6-7-11-16(20)17(21)14-13-15(19)10-8-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15?,16-,17+/m0/s1 |
| Smiles | CCCCCCCC[C@@H]([C@@H](/C=C/C(CCCCC(=O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracontium Loretense (Plant) Rel Props:Source_db:cmaup_ingredients