Sodium linolateProduct ingredient for Linoleic acid
- Name
- Sodium linolate
- Drug Entry
- Linoleic acid
- Accession Number
- DBSALT002734
- Structure
Structure for Sodium linolate (DBSALT002734)
- Synonyms
- Not Available
- UNII
- 872C9A1W9I
- CAS Number
- 822-17-3
- Weight
- Average: 302.434
Monoisotopic: 302.22217452 - Chemical Formula
- C18H31NaO2
- InChI Key
- WYPBVHPKMJYUEO-NBTZWHCOSA-M
- 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-;
- IUPAC Name
- sodium (9Z,12Z)-octadeca-9,12-dienoate
- SMILES
- [Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
- External Links
- ChemSpider
- 20138034
- ChEMBL
- CHEMBL571449
- Predicted Properties
Property Value Source Water Solubility 4.97e-05 mg/mL ALOGPS logP 6.79 ALOGPS logP 6.42 Chemaxon logS -6.8 ALOGPS pKa (Strongest Acidic) 4.99 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.13 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 99.36 m3·mol-1 Chemaxon Polarizability 35.23 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon