ChemSpider 2D Image | TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] | C59H96O6

TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]

  • Molecular FormulaC59H96O6
  • Average mass901.390 Da
  • Monoisotopic mass900.720703 Da
  • ChemSpider ID7823781

  • 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(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
(2R)-3-[(9Z)-9-Hexadecenoyloxy]-1,2-propandiyl-(5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)bis(-5,8,11,14-icosatetraenoat) [German] [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Hexadecenoyloxy]-1,2-propanediyl (5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)bis(-5,8,11,14-icosatetraenoate) [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)Bis(-5,8,11,14-icosatétraénoate) de (2R)-3-[(9Z)-9-hexadecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-(9Z-hexadecenoyl)-2,3-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-Palmitoleoyl-2-arachidonoyl-3-arachidonoyl-glycerol
TAG(16:1/20:4/20:4)
TAG(16:1n7/20:4n6/20:4n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010870 [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: 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: 21.26
ACD/LogD (pH 5.5): 18.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.46
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


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