ChemSpider 2D Image | (2S)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C55H92O6

(2S)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC55H92O6
  • Average mass849.315 Da
  • Monoisotopic mass848.689392 Da
  • ChemSpider ID59652086

  • 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)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2S)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(tetradecanoyloxy)propyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (2S)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2S)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[(1-oxotetradecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-Myristoyl-2-linoleoyl-3-eicosapentaenoyl-glycerol
1-Tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
TAG(14:0/18:2/20:5)
TAG(52:7)
TG(14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
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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: 798.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 299.0±32.9 °C
Index of Refraction: 1.494
Molar Refractivity: 262.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 20.21
ACD/LogD (pH 5.5): 18.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.1±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 902.5±3.0 cm3

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