ChemSpider 2D Image | (2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate | C57H96O6

(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID59697131

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl-(5E,8E,11E,14E)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5E,8E,11E,14E)-5,8,11,14-Icosatétraénoate de (2R)-3-[(9E)-9-hexadecenoyloxy]-2-[(9E,12E)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-3-[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]-2-[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (5E,8E,11E,14E)- [ACD/Index Name]
(2R)-3-(hexadec-9-enoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl icosa-5,8,11,14-tetraenoate
TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 303.2±34.3 °C
Index of Refraction: 1.493
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.44
ACD/LogD (pH 5.5): 18.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 935.5±3.0 cm3

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