ChemSpider 2D Image | 3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(1E)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H86NO7P

3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(1E)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H86NO7P
  • Average mass820.173 Da
  • Monoisotopic mass819.614197 Da
  • ChemSpider ID59698412

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(1E)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(1E)-1-octadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[2-[(1E)-1-octadecen-1-yloxy]-3-[[(7E,10E,13E,16E,19E)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoyloxy]-2-[(1E)-1-octadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[3-(docosa-7,10,13,16,19-pentaenoyloxy)-2-(octadec-1-en-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 12.57
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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