ChemSpider 2D Image | 1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C61H104O6

1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC61H104O6
  • Average mass933.475 Da
  • Monoisotopic mass932.783264 Da
  • ChemSpider ID30777952

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de 1,3-bis[(9Z)-9-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1-(9Z-Octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(9Z-octadecenoyl)-glycerol
1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-Oleoyl-2-docosapentaenoyl-3-oleoyl-glycerol
TAG(18:1/22:5/18:1)
TAG(58:7)
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
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: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 311.1±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.28
ACD/LogD (pH 5.5): 20.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 1001.6±3.0 cm3

Click to predict properties on the Chemicalize site


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