ChemSpider 2D Image | (2R)-2-Hydroxy-3-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C26H48NO7P

(2R)-2-Hydroxy-3-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC26H48NO7P
  • Average mass517.636 Da
  • Monoisotopic mass517.316833 Da
  • ChemSpider ID59699346

  • 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

(2R)-2-Hydroxy-3-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(6E,9E,12E)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-hydroxy-3-(octadeca-6,9,12-trienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
LysoPC(18:3(6Z,9Z,12Z))

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: 23
#Rule of 5 Violations: 1
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 158.52
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 4.80
ACD/KOC (pH 7.4): 158.52
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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