propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

• ChemBase ID: 133626
• Molecular Formular: C23H38O2
• Molecular Mass: 346.54662
• Monoisotopic Mass: 346.28718046
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC
• InChI: InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
• InChIKey: FVYDLXGAUHZBJE-GKFVBPDJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
• IUPAC Traditional name: propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
• Synonyms: cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid propyl ester; Arachidonic acid propyl ester; Propyl arachidonate

Database IDs

• CAS Number: 93913-74-7
• MDL Number: MFCD00056308
• PubChem SID: 162227903; 24890704
• PubChem CID: 16218889

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.6123953
• LogD (pH = 7.4): 7.6123953
• Log P: 7.6123953
• Molar Refractivity: 113.9957 cm^3
• Polarizability: 42.952183 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: ~90%