ChemSpider 2D Image | (2R)-2-[(5E,8Z,11Z,14E,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H80NO7P

(2R)-2-[(5E,8Z,11Z,14E,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H80NO7P
  • Average mass790.104 Da
  • Monoisotopic mass789.567261 Da
  • ChemSpider ID59699679
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-[(5E,8Z,11Z,14E,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(5E,8Z,11Z,14E,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1E,11E)-1,11-octadecadien-1-yloxy]-2-[[(5E,8Z,11Z,14E,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(5E,8Z,11Z,14E,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-[(1E,11E)-1,11-octadécadién-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-(icosa-5,8,11,14,17-pentaenoyloxy)-3-(octadeca-1,11-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 11.16
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1759085.50
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1759147.25
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement