ChemSpider 2D Image | (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H78NO8P

(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H78NO8P
  • Average mass828.109 Da
  • Monoisotopic mass827.546509 Da
  • ChemSpider ID24767170

  • 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-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, i nner salt [ACD/Index Name]
Phosphate de (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphocholine
1-Eicosapentaenoyl-2-arachidonoyl-sn-glycero-3-phosphocholine
GPCho(20:5/20:4)
GPCho(20:5n3/20:4n6)
GPCho(20:5w3/20:4w6)
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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: 9.90
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 451305.81
ACD/KOC (pH 5.5): 574863.69
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 451321.16
ACD/KOC (pH 7.4): 574883.25
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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