(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid sodium

• ChemBase ID: 134399
• Molecular Formular: C20H30NaO2
• Molecular Mass: 325.44077
• Monoisotopic Mass: 325.21434948
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.[Na]
• 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);/b4-3-,7-6-,10-9-,13-12-,16-15-
• InChIKey: RFTXAZWJICNXMQ-RSDXMDNYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid sodium
• IUPAC Traditional name: eicosapentaenoic acid sodium
• Synonyms: cis-5,8,11,14,17-Eicosapentaenoic acid sodium salt; 顺式-5,8,11,14,17-二十碳五烯酸 钠盐

Database IDs

• CAS Number: 73167-03-0
• MDL Number: MFCD00079184
• PubChem SID: 24894631; 162228675
• PubChem CID: 6330669

CALCULATED PROPERTIES

• Acid pKa: 4.819772
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.4632735
• LogD (pH = 7.4): 3.6901412
• Log P: 6.2252493
• Molar Refractivity: 101.0706 cm^3
• Polarizability: 36.914207 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: white to off-white

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... ALOX5(240)mouse ... ALOX5(11689)rat ... ALOX5(25290)

Product Information

• Purity: ≥99% (capillary GC)
• Shipped in: dry ice

DETAILS

Sigma Aldrich - E6627

Biochem/physiol Actions
5-脂氧合酶抑制剂；可减少血栓素 A2 的生成。