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2190-15-0

Basic Information
CAS No.: 2190-15-0
Name: 1,2-DILINOLEOYL-3-PALMITOYL-RAC-GLYCEROL
Article Data: 5
Molecular Structure:
Molecular Structure of 2190-15-0 (1,2-DILINOLEOYL-3-PALMITOYL-RAC-GLYCEROL)
Formula: C55H98O6
Molecular Weight: 855.38
Synonyms: 1,2-DILINOLEOYL-3-PALMITOYL-RAC-GLYCEROL;1,2-DI[CIS-9,12-OCTADECADIENOYL]-3-HEXADECANOYL-RAC-GLYCEROL;1,2-LINOLEIN-3-PALMITIN;PLL;1,2-dilinoleoyl-3-palmitoyl-rac-*glycerol (C18:2,;1,2-DILINOLEOYL-3-PALMITOYL-RAC-GLYCEROL (C18:2,(C;PLL, 1,2-Di(cis-9,12-octadecadienoyl)-3-hexadecanoyl-rac-glycerol;1,2-Dilinoleoyl-3-palmitoyl-rac-glycerol,1,2-Di(cis-9,12-octadecadienoyl)-3-hexadecanoyl-rac-glycerol, PLL
Density: 0.928 g/cm3
Melting Point: -4--3 °C
Boiling Point: 800.7 °C at 760 mmHg
Flash Point: 298.5 °C
Appearance: Colourless Liquid
PSA: 78.90000
LogP: 17.09290
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Specification

The 9, 12-Octadecadienoicacid (9Z, 12Z)-, 1, 1'-[1-[[(1-oxohexadecyl)oxy]methyl]-1, 2-ethanediyl] ester, has the CAS registry number 2190-15-0. It belongs to the product categories of Mixed Fatty Acids; Fatty Acid Derivatives & Lipids; Glycerols. This chemical's molecular formula is C55H98O6 and molecular weight is 855.36. What's more, its systematic name is 3-(Hexadecanoyloxy)propane-1, 2-diyl (9Z, 12Z, 9'Z, 12'Z)bis-octadeca-9, 12-dienoate. In addition, it must be stored at the temperature of -20 °C. Besides, it is a reference standard for Sesame Oil. 

Physical properties about 9, 12-Octadecadienoicacid (9Z, 12Z)-, 1, 1'-[1-[[(1-oxohexadecyl)oxy]methyl]-1, 2-ethanediyl] ester are: (1)ACD/LogP: 22.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 22.13; (4)ACD/LogD (pH 7.4): 22.13; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 50; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 262.37 cm3; (15)Molar Volume: 921.6 cm3; (16)Polarizability: 104.01×10-24 cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.928 g/cm3; (19)Flash Point: 298.5 °C; (20)Enthalpy of Vaporization: 116.42 kJ/mol; (21)Boiling Point: 800.7 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-25 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
(2) InChI: InChI=1/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-
(3) InChIKey: LXAWUIOWWNQCQA-YBQWMRSQBH