ChemSpider 2D Image | 2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H80NO7P

2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H80NO7P
  • Average mass790.104 Da
  • Monoisotopic mass789.567261 Da
  • ChemSpider ID9460772

  • 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-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
2-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[3-[(1Z)-1-hexadecen-1-yloxy]-2-[[(4E,7E,10E,13E,16E,19E)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propoxy]hydroxyphosphinyl]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-[(1Z)-1-hexadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]

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: 39
#Rule of 5 Violations: 2
ACD/LogP: 11.07
ACD/LogD (pH 5.5): 9.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5062519.00
ACD/LogD (pH 7.4): 9.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5062697.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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