ChemSpider 2D Image | (2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H78NO8P

(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H78NO8P
  • Average mass804.087 Da
  • Monoisotopic mass803.546509 Da
  • ChemSpider ID24767130

  • 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-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Eicsoate
1-Eicsoatetraenoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-Eicsoatetraenoyl-2-α-linolenoyl-sn-glycero-3-phosphocholine
1-Eicsoic acid
GPCho(20:4/18:3)
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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: 39
#Rule of 5 Violations: 2
ACD/LogP: 9.95
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 478056.38
ACD/KOC (pH 5.5): 599053.13
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 478072.66
ACD/KOC (pH 7.4): 599073.50
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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