ChemSpider 2D Image | 2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate | C57H100O6

2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate

  • Molecular FormulaC57H100O6
  • Average mass881.400 Da
  • Monoisotopic mass880.752014 Da
  • ChemSpider ID59656080

  • 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

2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl docosanoate
1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-docosanoyl-sn-glycerol
1-Behenoyl-2-stearidonoyl-3-myristoleoyl-glycerol
1-Docosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(9Z-tetradecenoyl)-glycerol
TAG(22:0/18:4/14:1)
TAG(54:5)
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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: 817.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 302.9±34.3 °C
Index of Refraction: 1.485
Molar Refractivity: 271.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.42
ACD/LogD (pH 5.5): 19.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 948.3±3.0 cm3

Click to predict properties on the Chemicalize site


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