ChemSpider 2D Image | (2R)-3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-[(8E,11E,14E,17E)-8,11,14,17-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C50H80NO8P

(2R)-3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-[(8E,11E,14E,17E)-8,11,14,17-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC50H80NO8P
  • Average mass854.146 Da
  • Monoisotopic mass853.562134 Da
  • ChemSpider ID59698432

  • 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-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-[(8E,11E,14E,17E)-8,11,14,17-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-[(8E,11E,14E,17E)-8,11,14,17-icosatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(4E,7E,10E,13E,16E,19E)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-2-[[(8E,11E,14E,17E)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trime thyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoyloxy]-2-[(8E,11E,14E,17E)-8,11,14,17-icosatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(docosa-4,7,10,13,16,19-hexaenoyloxy)-2-(icosa-8,11,14,17-tetraenoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))

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: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 337508.38
ACD/KOC (pH 5.5): 466918.88
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 337519.88
ACD/KOC (pH 7.4): 466934.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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