ChemSpider 2D Image | 3-(Icosanoyloxy)-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H90NO7P

3-(Icosanoyloxy)-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H90NO7P
  • Average mass800.183 Da
  • Monoisotopic mass799.645508 Da
  • ChemSpider ID59698138

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(Icosanoyloxy)-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
3-(Icosanoyloxy)-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-[(1-oxoeicosyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 3-(icosanoyloxy)-2-[(1E,9E)-1,9-octadécadién-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[3-(icosanoyloxy)-2-(octadeca-1,9-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(20:0/P-18:1(9Z))

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: 44
#Rule of 5 Violations: 2
ACD/LogP: 14.06
ACD/LogD (pH 5.5): 12.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.44
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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