ChemSpider 2D Image | 2-[(9Z)-9-Tetradecenoyloxy]-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate) | C57H96O6

2-[(9Z)-9-Tetradecenoyloxy]-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate)

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID30777991

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,5'Z,8'Z,11'Z)Bis(-5,8,11-icosatriénoate) de 2-[(9Z)-9-tetradecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Tetradecenoyloxy]-1,3-propandiyl-(5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoat) [German] [ACD/IUPAC Name]
2-[(9Z)-9-Tetradecenoyloxy]-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate) [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, 2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]-1,3-propanediyl ester, (5Z,8Z,11Z,5'Z,8'Z,11'Z)- [ACD/Index Name]
1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(9Z-tetradecenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Meadoyl-2-myristoleoyl-3-meadoyl-glycerol
3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
TAG(20:3/14:1/20:3)
TAG(54:7)
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
More...

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: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 303.2±34.3 °C
Index of Refraction: 1.493
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.56
ACD/LogD (pH 5.5): 18.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 935.5±3.0 cm3

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