ChemSpider 2D Image | (2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-(pentadecanoyloxy)propyl docosanoate | C60H108O6

(2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-(pentadecanoyloxy)propyl docosanoate

  • Molecular FormulaC60H108O6
  • Average mass925.496 Da
  • Monoisotopic mass924.814575 Da
  • ChemSpider ID59655595

  • 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

(2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-(pentadecanoyloxy)propyl docosanoate [ACD/IUPAC Name]
(2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-(pentadecanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2S)-3-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(pentadecanoyloxy)propyl docosanoate
1-Behenoyl-2-pentadecanoyl-3-arachidonoyl-glycerol
1-Docosanoyl-2-pentadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol
TAG(22:0/15:0/20:4)
TAG(57:4)
TG(22:0/15:0/20:4(5Z,8Z,11Z,14Z))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 308.8±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 285.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.59
ACD/LogD (pH 5.5): 22.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.2±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 1004.2±3.0 cm3

Click to predict properties on the Chemicalize site


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