ChemSpider 2D Image | (2S)-2-{[(9Z,11E)-13-Oxo-9,11-tridecadienoyl]oxy}-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C39H72NO9P

(2S)-2-{[(9Z,11E)-13-Oxo-9,11-tridecadienoyl]oxy}-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC39H72NO9P
  • Average mass729.964 Da
  • Monoisotopic mass729.494446 Da
  • ChemSpider ID9193228

  • 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-{[(9Z,11E)-13-Oxo-9,11-tridecadienoyl]oxy}-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-2-{[(9Z,11E)-13-Oxo-9,11-tridecadienoyl]oxy}-3-(stearoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2S)-2-[[(9Z,11E)-1,13-dioxo-9,11-tridecadien-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S)-2-{[(9Z,11E)-13-oxo-9,11-tridecadienoyl]oxy}-3-(stearoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]

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: 10
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 26145.45
ACD/KOC (pH 5.5): 74830.60
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 26146.34
ACD/KOC (pH 7.4): 74833.15
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

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