ChemSpider 2D Image | 1-Palmitoyl-2-arachidonoyl-sn-glycerol | C39H68O5

1-Palmitoyl-2-arachidonoyl-sn-glycerol

  • Molecular FormulaC39H68O5
  • Average mass616.954 Da
  • Monoisotopic mass616.506653 Da
  • ChemSpider ID7822686

  • 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)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2S)-1-hydroxy-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-Palmitoyl-2-arachidonoyl-sn-glycerol
5,8,11,14-Eicosatetraenoic acid, (1S)-2-hydroxy-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]
(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
(2S)-1-hydroxy-3-(palmitoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
(2S)-3-(hexadecanoyloxy)-1-hydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1,2-DG 16:0/20:4(ω-6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL02010070 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 187.2±25.0 °C
Index of Refraction: 1.489
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.19
ACD/LogD (pH 5.5): 12.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 651.6±3.0 cm3

Click to predict properties on the Chemicalize site


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