ChemSpider 2D Image | (2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C63H102O6

(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC63H102O6
  • Average mass955.480 Da
  • Monoisotopic mass954.767639 Da
  • ChemSpider ID59663563

  • 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-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (2R)-3-[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(9Z-octadecenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-Osbondoyl-2-oleoyl-3-eicsoatetraenoyl-glycerol
TAG(22:5/18:1/20:4)
TAG(60:10)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/20:4(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: 864.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 315.2±34.3 °C
Index of Refraction: 1.502
Molar Refractivity: 299.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.66
ACD/LogD (pH 5.5): 19.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 118.8±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 1015.4±3.0 cm3

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