ChemSpider 2D Image | 1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C64H102O6

1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC64H102O6
  • Average mass967.491 Da
  • Monoisotopic mass966.767639 Da
  • ChemSpider ID35024036

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de 1-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-nonadecadien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol
1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Meadoyl-2-docosahexaenoyl-3-linoleoyl-glycerol
TAG(20:3/22:6/18:2)
TAG(60:11)
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 871.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.506
Molar Refractivity: 304.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.79
ACD/LogD (pH 5.5): 19.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 120.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 1025.6±3.0 cm3

Click to predict properties on the Chemicalize site


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