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Search term: 59655777 (Found by CSID)
ChemSpider 2D Image | (2S)-3-(Docosanoyloxy)-2-[(11Z)-11-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C65H114O6

(2S)-3-(Docosanoyloxy)-2-[(11Z)-11-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC65H114O6
  • Average mass991.597 Da
  • Monoisotopic mass990.861511 Da
  • ChemSpider ID59655777

  • 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-(Docosanoyloxy)-2-[(11Z)-11-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-3-(Docosanoyloxy)-2-[(11Z)-11-octadecenoyloxy]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 (2S)-3-(docosanoyloxy)-2-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2S)-3-[(1-oxodocosyl)oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-3-(docosanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-Behenoyl-2-vaccenoyl-3-docosapentaenoyl-glycerol
1-Docosanoyl-2-(11Z-octadecenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol
TAG(22:0/18:1/22:5)
TAG(62:6)
TG(22:0/18:1(11Z)/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: 883.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 318.3±34.3 °C
Index of Refraction: 1.487
Molar Refractivity: 308.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 2
ACD/LogP: 25.92
ACD/LogD (pH 5.5): 23.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 1074.0±3.0 cm3

Click to predict properties on the Chemicalize site


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