ChemSpider 2D Image | (2R)-3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H78NO8P

(2R)-3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H78NO8P
  • Average mass828.109 Da
  • Monoisotopic mass827.546509 Da
  • ChemSpider ID59698393

  • 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-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(7E,10E,13E,16E,19E)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]-2-[[(6E,9E,12E,15E)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl -, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoyloxy]-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(docosa-7,10,13,16,19-pentaenoyloxy)-2-(octadeca-6,9,12,15-tetraenoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))

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: 39
#Rule of 5 Violations: 2
ACD/LogP: 9.72
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 192132.91
ACD/KOC (pH 5.5): 311960.84
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 192139.45
ACD/KOC (pH 7.4): 311971.47
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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