ChemSpider 2D Image | (2S)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C59H96O6

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

  • Molecular FormulaC59H96O6
  • Average mass901.390 Da
  • Monoisotopic mass900.720703 Da
  • ChemSpider ID24768281

  • 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)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]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)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2S)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-Arachidonoyl-2-linoleoyl-3-a-linolenoyl-glycerol
1-Arachidonoyl-2-linoleoyl-3-α-linolenoyl-glycerol
TAG(20:4/18:2/18:3)
TAG(20:4n6/18:2n6/18:3n3)
TAG(20:4w6/18:2w6/18:3w3)
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 831.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 307.4±34.3 °C
Index of Refraction: 1.500
Molar Refractivity: 281.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.30
ACD/LogD (pH 5.5): 18.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.5±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 955.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement