ChemSpider 2D Image | 3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H80NO7P

3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H80NO7P
  • Average mass790.104 Da
  • Monoisotopic mass789.567261 Da
  • ChemSpider ID59695203
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[2-[(1E,9E)-1,9-octadecadien-1-yloxy]-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]-2-[(1E,9E)-1,9-octadécadién-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[3-(icosa-5,8,11,14,17-pentaenoyloxy)-2-(octadeca-1,9-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
1-Eicosapentaenoyl-2-(1-enyl-oleoyl)-sn-glycero-3-phosphocholine
GPCho(20:5/18:1)
GPCho(20:5n3/18:1n9)
GPCho(20:5w3/18:1w9)
GPCho(38:6)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 11.11
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2457021.75
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2457110.75
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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