ChemSpider 2D Image | (2R)-3-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-[(15E)-15-tetracosenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C54H98NO8P

(2R)-3-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-[(15E)-15-tetracosenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC54H98NO8P
  • Average mass920.332 Da
  • Monoisotopic mass919.703003 Da
  • ChemSpider ID59698350

  • 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-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-[(15E)-15-tetracosenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-2-[(15E)-15-tetracosenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(7E,10E,13E,16E)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]-2-[[(15E)-1-oxo-15-tetracosen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(7E,10E,13E,16E)-7,10,13,16-docosatetraenoyloxy]-2-[(15E)-15-tetracosenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(docosa-7,10,13,16-tetraenoyloxy)-2-(tetracos-15-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))

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: 49
#Rule of 5 Violations: 2
ACD/LogP: 15.40
ACD/LogD (pH 5.5): 12.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement