2,3-dihydroxypropyl (9Z,11Z)-heptadeca-9,11-dienoate
PubChem CID: 5319876
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | USPSDZQQNLMVMK-JPDBVBESSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 17.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | 2,3-dihydroxypropyl (9Z,11Z)-heptadeca-9,11-dienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.261 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 340.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl (9Z,11Z)-heptadeca-9,11-dienoate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Prediction Hob | 0.0 |
| Esol | -4.2941248 |
| Inchi | InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h6-9,19,21-22H,2-5,10-18H2,1H3/b7-6-,9-8- |
| Smiles | CCCCC/C=C\C=C/CCCCCCCC(=O)OCC(CO)O |
| Xlogp | 5.5 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C20H36O4 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients