ChemSpider 2D Image | (2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C63H100O5

(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC63H100O5
  • Average mass937.465 Da
  • Monoisotopic mass936.757080 Da
  • ChemSpider ID24768284

  • 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

(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatétraén-1-yloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yloxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Arachidonoyl-2-linoleoyl-3-docosahexaenoyl-glycerol
TAG(20:4/18:2/22:6)
TAG(20:4n6/18:2n6/22:6n3)
TAG(20:4w6/18:2w6/22:6w3)
TAG(60:12)
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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: 863.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 316.0±34.3 °C
Index of Refraction: 1.508
Molar Refractivity: 299.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.33
ACD/LogD (pH 5.5): 18.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 118.9±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 1005.5±3.0 cm3

Click to predict properties on the Chemicalize site


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