ChemSpider 2D Image | (2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C65H104O6

(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC65H104O6
  • Average mass981.518 Da
  • Monoisotopic mass980.783264 Da
  • ChemSpider ID59663968

  • 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

(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2R)-2-[(13Z,16Z)-13,16-docosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2R)-2-[[(13Z,16Z)-1-oxo-13,16-docosadien-1-yl]oxy]-3-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(13Z,16Z-docosadienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol
1-Stearidonoyl-2-docosadienoyl-3-docosapentaenoyl-glycerol
TAG(18:4/22:2/22:5)
TAG(62:11)
TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
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: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 319.0±34.3 °C
Index of Refraction: 1.505
Molar Refractivity: 309.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.08
ACD/LogD (pH 5.5): 19.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 1042.1±3.0 cm3

Click to predict properties on the Chemicalize site


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