ChemSpider 2D Image | (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H78NO8P

(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H78NO8P
  • Average mass828.109 Da
  • Monoisotopic mass827.546509 Da
  • ChemSpider ID24767361

  • 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-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(7Z,10Z,13Z,16Z,19Z)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl -, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Docosapentaenoyl-2-stearidonoyl-sn-glycero-3-phosphocholine
GPCho(22:5/18:4)
GPCho(22:5n3/18:4n3)
GPCho(22:5w3/18:4w3)
GPCho(40:9)
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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: 9.72
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 192132.91
ACD/KOC (pH 5.5): 311960.84
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 192139.45
ACD/KOC (pH 7.4): 311971.47
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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