ChemSpider 2D Image | (2S)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C65H104O6

(2S)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC65H104O6
  • Average mass981.518 Da
  • Monoisotopic mass980.783264 Da
  • ChemSpider ID59663384

  • 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

(2S)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(2S)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (2S)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (2S)-3-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol
1-Adrenoyl-2-linoleoyl-3-osbondoyl-glycerol
TAG(22:4/18:2/22:5)
TAG(62:11)
TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
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: 23.20
ACD/LogD (pH 5.5): 20.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.14
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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