ChemSpider 2D Image | (2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C63H102O6

(2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC63H102O6
  • Average mass955.480 Da
  • Monoisotopic mass954.767639 Da
  • ChemSpider ID24768279

  • 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-[(9Z)-9-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2S)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2S)-3-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-Arachidonoyl-2-oleoyl-3-docosapentaenoyl-glycerol
TAG(20:4/18:1/22:5)
TAG(20:4n6/18:1n9/22:5n3)
TAG(20:4w6/18:1w9/22:5w3)
TAG(60:10)
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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: 22.58
ACD/LogD (pH 5.5): 19.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.77
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

Click to predict properties on the Chemicalize site


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