ChemSpider 2D Image | TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | C55H96O6

TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]

  • Molecular FormulaC55H96O6
  • Average mass853.347 Da
  • Monoisotopic mass852.720703 Da
  • ChemSpider ID7823100

  • 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

TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)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-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-hexadecanoyl-2-(9Z-hexadecenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-Palmitoyl-2-palmitoleoyl-3-arachidonoyl-glycerol
TAG(16:0/16:1/20:4)
TAG(16:0/16:1n7/20:4n6)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010185 [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: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 298.7±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.41
ACD/LogD (pH 5.5): 19.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 915.3±3.0 cm3

Click to predict properties on the Chemicalize site


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