ChemSpider 2D Image | 2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C46H80NO8P

2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H80NO8P
  • Average mass806.103 Da
  • Monoisotopic mass805.562134 Da
  • ChemSpider ID19756289

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[2-[[(4E,7E,10E,13E,16E,19E)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoyloxy]-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
59403-54-2 [RN]

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: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.50
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3268069.50
ACD/LogD (pH 7.4): 8.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3268180.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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