1-hydroxy-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

• ChemBase ID: 133397
• Molecular Formular: C41H72O5
• Molecular Mass: 645.00738
• Monoisotopic Mass: 644.5379754
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
• InChI: InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-
• InChIKey: NSXLMTYRMFVYNT-LGHBDAFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydroxy-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
• IUPAC Traditional name: 1-hydroxy-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
• Synonyms: 1-Stearoyl-2-arachidonoyl-sn-glycerol; 1-十八酰基-2-([顺,顺,顺,顺]-5,8,11,14-二十碳四烯酰)-sn-甘油; 2-花生四烯酰-1-硬脂酰-sn-甘油; 1-硬脂酰-2-花生酰-sn-甘油

Database IDs

• CAS Number: 65914-84-3
• MDL Number: MFCD00070361
• Beilstein Number: 2198923
• PubChem SID: 162227674; 24899699
• PubChem CID: 14345637

CALCULATED PROPERTIES

• Acid pKa: 14.577784
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 13.222819
• LogD (pH = 7.4): 13.222819
• Log P: 13.222819
• Molar Refractivity: 199.7713 cm^3
• Polarizability: 77.4625 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: -20°C

Product Information

• Purity: ~98%
• Suitability: suitable for stimulation of protein kinase C derived from liver cells
• Impurities: 1,3-isomer, trace
• Shipped in: dry ice

DETAILS

Sigma Aldrich - S6389

Biochem/physiol Actions
这种合成的甘油二酯是蛋白激酶 C 的活化剂。
Caution
本品在储存中可能发生异构化。
包装
密封安瓿瓶