ChemSpider 2D Image | (2R)-3-[(6E,9E,12E)-6,9,12-Octadecatrienoyloxy]-2-[(9E)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C40H72NO8P

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

  • Molecular FormulaC40H72NO8P
  • Average mass725.975 Da
  • Monoisotopic mass725.499573 Da
  • ChemSpider ID59698085

  • 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)-3-[(6E,9E,12E)-6,9,12-Octadecatrienoyloxy]-2-[(9E)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(6E,9E,12E)-6,9,12-Octadecatrienoyloxy]-2-[(9E)-9-tetradecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(6E,9E,12E)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-2-[[(9E)-1-oxo-9-tetradecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]-2-[(9E)-9-tetradecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
PC(18:3(6Z,9Z,12Z)/14:1(9Z))
trimethyl(2-{[(2R)-3-(octadeca-6,9,12-trienoyloxy)-2-(tetradec-9-enoyloxy)propyl phosphonato]oxy}ethyl)azanium

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: 9
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 8.71
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 196677.02
ACD/KOC (pH 5.5): 317224.78
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 196683.72
ACD/KOC (pH 7.4): 317235.56
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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