ChemSpider 2D Image | (2R)-3-[(8E,11E,14E,17E)-8,11,14,17-Icosatetraenoyloxy]-2-[(9E)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H82NO8P

(2R)-3-[(8E,11E,14E,17E)-8,11,14,17-Icosatetraenoyloxy]-2-[(9E)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H82NO8P
  • Average mass808.119 Da
  • Monoisotopic mass807.577820 Da
  • ChemSpider ID59698225

  • 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)-3-[(8E,11E,14E,17E)-8,11,14,17-Icosatetraenoyloxy]-2-[(9E)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(8E,11E,14E,17E)-8,11,14,17-Icosatetraenoyloxy]-2-[(9E)-9-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(8E,11E,14E,17E)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]-2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(8E,11E,14E,17E)-8,11,14,17-icosatetraenoyloxy]-2-[(9E)-9-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(icosa-8,11,14,17-tetraenoyloxy)-2-(octadec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(20:4(8Z,11Z,14Z,17Z)/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: 9
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 11.15
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2959540.75
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2959641.25
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement