(3R,4E,6Z,15Z)-3-hydroxyoctadeca-4,6,15-trienoic acid
PubChem CID: 163002092
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R,4E,6Z,15Z)-3-hydroxyoctadeca-4,6,15-trienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C18H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOAUICHIUBIWJY-CBPBFRBYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.543 |
| Rotatable Bond Count | 13.0 |
| Logd | 2.105 |
| Compound Name | (3R,4E,6Z,15Z)-3-hydroxyoctadeca-4,6,15-trienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.938597 |
| Inchi | InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h3-4,12-15,17,19H,2,5-11,16H2,1H3,(H,20,21)/b4-3-,13-12-,15-14+/t17-/m0/s1 |
| Smiles | CC/C=C\CCCCCCC/C=C\C=C\[C@@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Hispidum (Plant) Rel Props:Source_db:cmaup_ingredients