ChemSpider 2D Image | (2R)-2-[(11E)-11-Icosenoyloxy]-3-[(1E)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H90NO7P

(2R)-2-[(11E)-11-Icosenoyloxy]-3-[(1E)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H90NO7P
  • Average mass800.183 Da
  • Monoisotopic mass799.645508 Da
  • ChemSpider ID59699644

  • 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-[(11E)-11-Icosenoyloxy]-3-[(1E)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(11E)-11-Icosenoyloxy]-3-[(1E)-1-octadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1E)-1-octadecen-1-yloxy]-2-[[(11E)-1-oxo-11-eicosen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(11E)-11-icosenoyloxy]-3-[(1E)-1-octadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-(icos-11-enoyloxy)-3-(octadec-1-en-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(P-18:0/20:1(11Z))

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: 44
#Rule of 5 Violations: 2
ACD/LogP: 14.12
ACD/LogD (pH 5.5): 12.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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