ChemSpider 2D Image | (2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H84NO7P

(2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H84NO7P
  • Average mass818.157 Da
  • Monoisotopic mass817.598511 Da
  • ChemSpider ID59699683

  • 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)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1E,11E)-1,11-octadecadien-1-yloxy]-2-[[(4E,7E,10E,13E,16E)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoyloxy]-3-[(1E,11E)-1,11-octadécadién-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-(docosa-4,7,10,13,16-pentaenoyloxy)-3-(octadeca-1,11-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

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: 8
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 12.30
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4438633.00
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4438789.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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