Sodium icosa-5,8,11,14,17-pentaenoate
PubChem CID: 44134688
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| Compound Synonyms | cis-5,8,11,14,17-Eicosapentaenoic acid sodium salt, DTXSID10993898, sodium icosa-5,8,11,14,17-pentaenoate |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, icosa-5,8,11,14,17-pentaenoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C20H29NaO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBZYGQJEMWGTOH-UHFFFAOYSA-M |
| Fcsp3 | 0.45 |
| Logs | -5.128 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.389 |
| Compound Name | Sodium icosa-5,8,11,14,17-pentaenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.207 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.207 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 5.0 |
| Inchi | InChI=1S/C20H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22, /h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22), /q, +1/p-1 |
| Smiles | CCC=CCC=CCC=CCC=CCC=CCCCC(=O)[O-].[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients