ChemSpider 2D Image | (2R)-2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C54H96O6

(2R)-2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC54H96O6
  • Average mass841.336 Da
  • Monoisotopic mass840.720703 Da
  • ChemSpider ID24768316

  • 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)-2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R)-2-(palmitoyloxy)-3-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-2-[(1-oxohexadecyl)oxy]-3-[(1-oxopentadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-pentadecanoyl-2-hexadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-Pentadecanoyl-2-palmitoyl-3-arachidonoyl-glycerol
TAG(15:0/16:0/20:4)
TAG(15:0/16:0/20:4n6)
TAG(15:0/16:0/20:4w6)
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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: 791.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 296.5±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 257.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.40
ACD/LogD (pH 5.5): 19.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 905.2±3.0 cm3

Click to predict properties on the Chemicalize site


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