ChemSpider 2D Image | 3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl docosanoate | C61H106O6

3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl docosanoate

  • Molecular FormulaC61H106O6
  • Average mass935.491 Da
  • Monoisotopic mass934.798950 Da
  • ChemSpider ID7824095

  • 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

3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl docosanoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl docosanoate
1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-docosanoyl-sn-glycerol
1-Behenoyl-2-eicosapentaenoyl-3-palmitoleoyl-glycerol
1-Docosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(9Z-hexadecenoyl)-glycerol
TAG(22:0/20:5/16:1)
TAG(58:6)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03011184 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 850.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 311.0±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 23.92
ACD/LogD (pH 5.5): 21.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.62
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: 35.1±3.0 dyne/cm
Molar Volume: 1008.0±3.0 cm3

Click to predict properties on the Chemicalize site


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