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Search term: 59658166 (Found by CSID)
ChemSpider 2D Image | (2S)-3-[(11Z)-11-Octadecenoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C57H100O6

(2S)-3-[(11Z)-11-Octadecenoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC57H100O6
  • Average mass881.400 Da
  • Monoisotopic mass880.752014 Da
  • ChemSpider ID59658166

  • 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-[(11Z)-11-Octadecenoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-3-[(11Z)-11-Octadecenoyloxy]-2-(tetradecanoyloxy)propyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-3-[(11Z)-11-octadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2S)-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-3-[(11Z)-octadec-11-enoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(11Z-Octadecenoyl)-2-tetradecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol
1-Vaccenoyl-2-myristoyl-3-adrenoyl-glycerol
TAG(18:1/14:0/22:4)
TAG(54:5)
TG(18:1(11Z)/14:0/22:4(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: 817.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 302.9±34.3 °C
Index of Refraction: 1.485
Molar Refractivity: 271.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.35
ACD/LogD (pH 5.5): 20.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 948.3±3.0 cm3

Click to predict properties on the Chemicalize site


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