ChemSpider 2D Image | (2R)-2-[(2E,4E,12E,14E)-2,4,12,14-Hexadecatetraenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C40H72NO8P

(2R)-2-[(2E,4E,12E,14E)-2,4,12,14-Hexadecatetraenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC40H72NO8P
  • Average mass725.975 Da
  • Monoisotopic mass725.499573 Da
  • ChemSpider ID24822336

  • 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-[(2E,4E,12E,14E)-2,4,12,14-Hexadecatetraenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(2E,4E,12E,14E)-2,4,12,14-Hexadecatetraenoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(2E,4E,12E,14E)-1-oxo-2,4,12,14-hexadecatetraen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(2E,4E,12E,14E)-2,4,12,14-hexadecatetraenoyloxy]-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(2E,4E,12E,14E-hexadecatetraenoyl)-sn-glycero-3-phosphocholine
PC(16:0/16:4(2E,4E,12E,14E))
PC(16:0/16:4)
PC(16:0_16:4)
PC(32:4)

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: 36
#Rule of 5 Violations: 2
ACD/LogP: 9.90
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 222809.05
ACD/KOC (pH 5.5): 346855.25
ACD/LogD (pH 7.4): 7.15
ACD/BCF (pH 7.4): 222816.63
ACD/KOC (pH 7.4): 346867.03
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement