ChemSpider 2D Image | (2R)-3-[(8E,11E,14E)-8,11,14-Icosatrienoyloxy]-2-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H80NO8P

(2R)-3-[(8E,11E,14E)-8,11,14-Icosatrienoyloxy]-2-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H80NO8P
  • Average mass806.103 Da
  • Monoisotopic mass805.562134 Da
  • ChemSpider ID59695170

  • 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-[(8E,11E,14E)-8,11,14-Icosatrienoyloxy]-2-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(8E,11E,14E)-8,11,14-Icosatrienoyloxy]-2-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(8E,11E,14E)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]-2-[[(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)-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-[(6E,9E,12E)-6,9,12-octadecatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(icosa-8,11,14-trienoyloxy)-2-(octadeca-6,9,12-trienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
1-Homo-g-linolenoyl-2-g-linolenoyl-sn-glycero-3-phosphocholine
1-Homo-γ-linolenoyl-2-γ-linolenoyl-sn-glycero-3-phosphocholine
GPCho(20:3/18:3)
GPCho(20:3n6/18:3n6)
GPCho(20:3w6/18:3w6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1184873.00
ACD/LogD (pH 7.4): 8.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1184913.38
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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