ChemSpider 2D Image | 2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl [2-(trimethylammonio)ethyl]phosphonate | C44H80NO7P

2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl [2-(trimethylammonio)ethyl]phosphonate

  • Molecular FormulaC44H80NO7P
  • Average mass766.082 Da
  • Monoisotopic mass765.567261 Da
  • ChemSpider ID24589884
  • Double-bond stereo - Double-bond stereo

More details:

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

[2-(Triméthylammonio)éthyl]phosphonate de 2,3-bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl [2-(trimethylammonio)ethyl]phosphonate [ACD/IUPAC Name]
2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-[2-(trimethylammonio)ethyl]phosphonat [German] [ACD/IUPAC Name]
2,3-Bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl [2-(trimethylammonio)ethyl]phosphonate
Ethanaminium, 2-[[2,3-bis[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]hydroxyphosphinyl]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
55128-59-1 [RN]
8002-43-5 [RN]
Lecithin from Soybean

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 10.48
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1383152.63
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1383198.13
Polar Surface Area: 112 Å2
Surface Tension:
Molar Volume:

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