ChemSpider 2D Image | 2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C46H82NO7P

2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H82NO7P
  • Average mass792.120 Da
  • Monoisotopic mass791.582886 Da
  • ChemSpider ID24608214
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(hexadecyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[3-(hexadecyloxy)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-(hexadécyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
133161-97-4 [RN]
Phosphatidylcholine alkyl 16:0-22:6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4826410.50
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4826580.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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