ChemSpider 2D Image | 3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H84NO7P

3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H84NO7P
  • Average mass818.157 Da
  • Monoisotopic mass817.598511 Da
  • ChemSpider ID59698383

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-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-[[(4E,7E,10E,13E,16E)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoyloxy]-2-[(1E,9E)-1,9-octadécadién-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[3-(docosa-4,7,10,13,16-pentaenoyloxy)-2-(octadeca-1,9-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(22:5(4Z,7Z,10Z,13Z,16Z)/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: 41
#Rule of 5 Violations: 2
ACD/LogP: 12.24
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6789192.00
ACD/LogD (pH 7.4): 9.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6789438.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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