Sodium Linoleate
PubChem CID: 23676150
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| Compound Synonyms | Sodium linoleate, Linoleic acid sodium salt, 822-17-3, Sodium (9Z,12Z)-octadeca-9,12-dienoate, Linoleic acid, sodium salt, Sodium linolate, PRISAVON L, sodium, (9Z,12Z)-octadeca-9,12-dienoate, 872C9A1W9I, EINECS 212-491-0, 9,12-Octadecadienoic acid (Z,Z)-, sodium salt, 9,12-Octadecadienoic acid (9Z,12Z)-, sodium salt, Linoleic Acid (sodium salt), DTXSID5041562, MFCD00063202, 9,12-Octadecadienoic acid (9Z,12Z)-, sodium salt (1:1), cis-9,cis-12-Octadecadienoic acid sodium salt, 9,12-OCTADECADIENOIC ACID, SODIUM SALT, UNII-872C9A1W9I, SCHEMBL107358, CHEMBL571449, SODIUM LINOLEATE [INCI], DTXCID3021562, WYPBVHPKMJYUEO-NBTZWHCOSA-M, CS-W012114, HY-W011398, AC-33772, FS159638, Linoleic acid sodium salt, >=98% (GC), Sodium(9Z,12Z)-octadeca-9,12-dienoate, L0056, NS00079542, A916196, 9,12-Octadecadienoic acid (9Z, 12Z)-, sodium salt, Q27269782 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P04799 |
| Iupac Name | sodium, (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H31NaO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYPBVHPKMJYUEO-NBTZWHCOSA-M |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.037 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.297 |
| Compound Name | Sodium Linoleate |
| 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/b7-6-,10-9-, |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all