ChemSpider 2D Image | 1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C55H92O6

1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC55H92O6
  • Average mass849.315 Da
  • Monoisotopic mass848.689392 Da
  • ChemSpider ID30777900

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de 1,3-bis[(9Z)-9-hexadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-(9Z-Hexadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(9Z-hexadecenoyl)-glycerol
1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-Palmitoleoyl-2-eicosapentaenoyl-3-palmitoleoyl-glycerol
TAG(16:1/20:5/16:1)
TAG(52:7)
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
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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): 17.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.19
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

Click to predict properties on the Chemicalize site


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