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Search term: 59654610 (Found by CSID)
ChemSpider 2D Image | (2S)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(stearoyloxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C63H108O6

(2S)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(stearoyloxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59654610

  • 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)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(stearoyloxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(stearoyloxy)-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-1-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1S)-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(octadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-Octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Stearoyl-2-adrenoyl-3-meadoyl-glycerol
TAG(18:0/22:4/20:3)
TAG(60:7)
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
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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: 866.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 314.8±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 299.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.46
ACD/LogD (pH 5.5): 22.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 118.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 1034.6±3.0 cm3

Click to predict properties on the Chemicalize site


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