ChemSpider 2D Image | (2R)-3-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate | C30H54NO7P

(2R)-3-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC30H54NO7P
  • Average mass571.726 Da
  • Monoisotopic mass571.363770 Da
  • ChemSpider ID59699356

  • 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)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(7E,10E,13E,16E)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(7E,10E,13E,16E)-7,10,13,16-docosatetraenoyloxy]-2-hydroxypropyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(docosa-7,10,13,16-tetraenoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
LysoPC(22:4(7Z,10Z,13Z,16Z))

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: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 36.72
ACD/KOC (pH 5.5): 679.63
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 36.72
ACD/KOC (pH 7.4): 679.65
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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