Sodium
PubChem CID: 44134802
Connections displayed (default: 10).
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| Compound Synonyms | SY110510 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, octadeca-9,12-dienoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H31NaO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYPBVHPKMJYUEO-UHFFFAOYSA-M |
| Fcsp3 | 0.7222222222222222 |
| Logs | -5.23 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.58 |
| Compound Name | Sodium, octadeca-9,12-dienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.222 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.222 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C18H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20, /h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20), /q, +1/p-1 |
| Smiles | CCCCCC=CCC=CCCCCCCCC(=O)[O-].[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients