Sodium linolateProduct ingredient for Linoleic acid

Name
Sodium linolate
Drug Entry
Linoleic acid
Accession Number
DBSALT002734
Structure
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
ChemSpider
20138034
ChEMBL
CHEMBL571449
Predicted Properties
PropertyValueSource
Water Solubility4.97e-05 mg/mLALOGPS
logP6.79ALOGPS
logP6.42Chemaxon
logS-6.8ALOGPS
pKa (Strongest Acidic)4.99Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.13 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity99.36 m3·mol-1Chemaxon
Polarizability35.23 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon