Found 467 results

Search term: MF = 'C_{61}H_{104}O_{6}'
ChemSpider 2D Image | (2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C61H104O6

(2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC61H104O6
  • Average mass933.475 Da
  • Monoisotopic mass932.783264 Da
  • ChemSpider ID59662395

  • 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-(Icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (2S)-2-[(1-oxoeicosyl)oxy]-3-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-eicosanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-eicosanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol
1-Homo-g-linolenoyl-2-arachidonyl-3-stearidonoyl-glycerol
TAG(20:3/20:0/18:4)
TAG(20:3n6/20:0/18:4)
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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: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 311.1±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.35
ACD/LogD (pH 5.5): 20.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 1001.6±3.0 cm3

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