ChemSpider 2D Image | (2S)-2-[(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoyloxy]-3-hydroxypropyl 2-(trimethylammonio)ethyl phosphate | C30H50NO7P

(2S)-2-[(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoyloxy]-3-hydroxypropyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC30H50NO7P
  • Average mass567.694 Da
  • Monoisotopic mass567.332458 Da
  • ChemSpider ID107563371

  • 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

(2S)-2-[(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoyloxy]-3-hydroxypropyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-2-[(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Docosahexaenoyloxy]-3-hydroxypropyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2S)-3-hydroxy-2-[[(2E,4E,6E,8E,10E,12E)-1-oxo-2,4,6,8,10,12-docosahexaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S)-2-[(2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-docosahexaenoyloxy]-3-hydroxypropyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
[(2S)-2-[(2E,4E,6E,8E,10E,12E)-Docosa-2,4,6,8,10,12-hexaenoyl]oxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
159407-32-6 [RN]

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: 24
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 81.10
ACD/KOC (pH 5.5): 1198.37
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 81.10
ACD/KOC (pH 7.4): 1198.41
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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