ChemSpider 2D Image | (2S)-2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C59H98O6

(2S)-2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC59H98O6
  • Average mass903.406 Da
  • Monoisotopic mass902.736328 Da
  • ChemSpider ID59657288

  • 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-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]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)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2S)-2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-(9Z-Tetradecenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol
1-Myristoleoyl-2-eicosadienoyl-3-docosapentaenoyl-glycerol
TAG(14:1/20:2/22:5)
TAG(14:1/20:2n6/22:5)
TAG(14:1/20:2w6/22:5)
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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: 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: 21.70
ACD/LogD (pH 5.5): 18.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.23
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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