ChemSpider 2D Image | (2S)-2-Hydroxy-3-{[(5E)-3-methoxy-5-heptadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | C26H54NO7P

(2S)-2-Hydroxy-3-{[(5E)-3-methoxy-5-heptadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC26H54NO7P
  • Average mass523.683 Da
  • Monoisotopic mass523.363770 Da
  • ChemSpider ID29212980
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-Hydroxy-3-{[(5E)-3-methoxy-5-heptadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-{[(5E)-3-methoxy-5-heptadecen-1-yl]oxy}propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2S)-2-hydroxy-3-[[(5E)-3-methoxy-5-heptadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S)-2-hydroxy-3-{[(5E)-3-méthoxy-5-heptadécén-1-yl]oxy}propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 25
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 21.28
ACD/KOC (pH 5.5): 459.87
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 21.28
ACD/KOC (pH 7.4): 459.89
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

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