ChemSpider 2D Image | 1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C57H96O6

1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID30777897

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de 1,3-bis[(9Z)-9-hexadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-(9Z-Hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(9Z-hexadecenoyl)-glycerol
1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Palmitoleoyl-2-osbondoyl-3-palmitoleoyl-glycerol
TAG(16:1/22:5/16:1)
TAG(54:7)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
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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: 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: 21.35
ACD/LogD (pH 5.5): 18.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.61
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

Click to predict properties on the Chemicalize site


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