sodium icosa-5,8,11,14,17-pentaenoate

• ChemBase ID: 104961
• Molecular Formular: C20H29NaO2
• Molecular Mass: 324.43283
• Monoisotopic Mass: 324.20652445
• SMILES: [Na+].CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-]
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-].[Na+]
• 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
• InChIKey: RBZYGQJEMWGTOH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium icosa-5,8,11,14,17-pentaenoate
• IUPAC Traditional name: potassium 5,8,11,14,17-icosapentaenoate
• Synonyms: cis-5,8,11,14,17-EICOSAPENTAENOIC ACID SODIUM SALT

Database IDs

• CAS Number: 73167-03-0
• PubChem SID: 162092205
• PubChem CID: 23688458

CALCULATED PROPERTIES

• Acid pKa: 4.819772
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4632735
• LogD (pH = 7.4): 3.6901412
• Log P: 6.2252493
• Molar Refractivity: 111.9077 cm^3
• Polarizability: 36.808464 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02157902

Sodium Salt
Purity: 98%
White, waxy substance.