ChemSpider 2D Image | (2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,2-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate) | C65H94O6

(2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,2-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate)

  • Molecular FormulaC65H94O6
  • Average mass971.438 Da
  • Monoisotopic mass970.705017 Da
  • ChemSpider ID59664009

  • 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-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,2-propandiyl-(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoat) [German] [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,2-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate) [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)Bis(-4,7,10,13,16,19-docosahexaénoate) de (2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (4 Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
1-Stearidonoyl-2-docosahexaenoyl-3-docosahexaenoyl-glycerol
TAG(18:4/22:6/22:6)
TAG(62:16)
TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,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: 1.0±0.1 g/cm3
Boiling Point: 876.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 319.7±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 309.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 20.06
ACD/LogD (pH 5.5): 16.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.7±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 1010.1±3.0 cm3

Click to predict properties on the Chemicalize site


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