ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C26H50NO7P

(2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC26H50NO7P
  • Average mass519.651 Da
  • Monoisotopic mass519.332458 Da
  • ChemSpider ID21403160

  • Double-bond stereo - Double-bond stereo

More details:

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

(2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2S)-3-hydroxy-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S)-3-hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
[3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
2-linoleoyl-sn-glycero-3-phosphocholine
3-Hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Compound NP-013783

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: 2.87
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 179.70
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 5.72
ACD/KOC (pH 7.4): 179.71
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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