ChemSpider 2D Image | (2R)-2-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C50H80NO8P

(2R)-2-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC50H80NO8P
  • Average mass854.146 Da
  • Monoisotopic mass853.562134 Da
  • ChemSpider ID59698266

  • 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-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(7E,10E,13E,16E,19E)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trim ethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoyloxy]-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-(docosa-7,10,13,16,19-pentaenoyloxy)-3-(icosa-5,8,11,14,17-pentaenoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))

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: 10.16
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 310668.47
ACD/KOC (pH 5.5): 440030.41
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 310679.03
ACD/KOC (pH 7.4): 440045.38
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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