ChemSpider 2D Image | 1-(Icosanoyloxy)-3-(pentadecanoyloxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C60H108O6

1-(Icosanoyloxy)-3-(pentadecanoyloxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC60H108O6
  • Average mass925.496 Da
  • Monoisotopic mass924.814575 Da
  • ChemSpider ID59653074

  • 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

(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de 1-(icosanoyloxy)-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Icosanoyloxy)-3-(pentadecanoyloxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
1-(Icosanoyloxy)-3-(pentadecanoyloxy)-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, 2-[(1-oxoeicosyl)oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-1-(icosanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-Pentadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-eicosanoyl-glycerol
1-Pentadecanoyl-2-adrenoyl-3-arachidonyl-glycerol
TAG(15:0/22:4/20:0)
TAG(57:4)
TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:0)
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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: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 308.8±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 285.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.47
ACD/LogD (pH 5.5): 22.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.2±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 1004.2±3.0 cm3

Click to predict properties on the Chemicalize site


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