ChemSpider 2D Image | (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate | C59H98O6

(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC59H98O6
  • Average mass903.406 Da
  • Monoisotopic mass902.736328 Da
  • ChemSpider ID59657353

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1S)-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate
1-(9Z-Tetradecenoyl)-2-(13Z,16Z-docosadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-Myristoleoyl-2-docosadienoyl-3-eicosapentaenoyl-glycerol
TAG(14:1/22:2/20:5)
TAG(56:8)
TG(14:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
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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: 21.82
ACD/LogD (pH 5.5): 18.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.29
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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