ChemSpider 2D Image | (2S)-2,3-Bis[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl icosanoate | C59H98O6

(2S)-2,3-Bis[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl icosanoate

  • Molecular FormulaC59H98O6
  • Average mass903.406 Da
  • Monoisotopic mass902.736328 Da
  • ChemSpider ID59655429

  • 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)-2,3-Bis[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl icosanoate [ACD/IUPAC Name]
(2S)-2,3-Bis[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2S)-2,3-bis[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de (2S)-2,3-bis[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-2,3-bis[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl icosanoate
1,2-di-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-eicosanoyl-sn-glycerol
1-Arachidonyl-2-stearidonoyl-3-stearidonoyl-glycerol
1-Eicosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol
TAG(20:0/18:4/18:4)
TAG(56:8)
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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: 832.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 307.3±34.3 °C
Index of Refraction: 1.496
Molar Refractivity: 281.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.67
ACD/LogD (pH 5.5): 18.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 962.2±3.0 cm3

Click to predict properties on the Chemicalize site


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