ChemSpider 2D Image | (2S)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C59H100O6

(2S)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC59H100O6
  • Average mass905.422 Da
  • Monoisotopic mass904.752014 Da
  • ChemSpider ID24768275

  • 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)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(stearoyloxy)propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2S)-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2S)-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-Arachidonoyl-2-stearoyl-3-a-linolenoyl-glycerol
1-Arachidonoyl-2-stearoyl-3-α-linolenoyl-glycerol
TAG(20:4/18:0/18:3)
TAG(20:4n6/18:0/18:3n3)
TAG(20:4w6/18:0/18:3w3)
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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: 832.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 307.2±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 281.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.34
ACD/LogD (pH 5.5): 19.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.86
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: 35.3±3.0 dyne/cm
Molar Volume: 968.6±3.0 cm3

Click to predict properties on the Chemicalize site


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