ChemSpider 2D Image | 2-{[(1E,4E)-1,5-Dihydroxy-1,4-pentadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | C29H56NO9P

2-{[(1E,4E)-1,5-Dihydroxy-1,4-pentadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC29H56NO9P
  • Average mass593.730 Da
  • Monoisotopic mass593.369263 Da
  • ChemSpider ID95778293

More details:

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

2-{[(1E,4E)-1,5-Dihydroxy-1,4-pentadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
2-{[(1E,4E)-1,5-Dihydroxy-1,4-pentadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[2-[[(1E,4E)-1,5-dihydroxy-1,4-pentadien-1-yl]oxy]-3-[[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 2-{[(1E,4E)-1,5-dihydroxy-1,4-pentadién-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-hexadécén-1-yl]oxy}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: 10
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 109.08
ACD/KOC (pH 5.5): 1481.61
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 107.80
ACD/KOC (pH 7.4): 1464.21
Polar Surface Area: 148 Å2
Polarizability:
Surface Tension:
Molar Volume:

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