ChemSpider 2D Image | (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (13Z)-13-docosenoate | C63H102O6

(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC63H102O6
  • Average mass955.480 Da
  • Monoisotopic mass954.767639 Da
  • ChemSpider ID59663932

  • 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

(13Z)-13-Docosénoate de (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1S)-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (13Z)-docos-13-enoate
1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(13Z-docosenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-Stearidonoyl-2-erucoyl-3-eicosapentaenoyl-glycerol
TAG(18:4/22:1/20:5)
TAG(60:10)
TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
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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: 864.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 315.2±34.3 °C
Index of Refraction: 1.502
Molar Refractivity: 299.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.65
ACD/LogD (pH 5.5): 19.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.36
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: 35.7±3.0 dyne/cm
Molar Volume: 1015.4±3.0 cm3

Click to predict properties on the Chemicalize site


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