ChemSpider 2D Image | (2R)-2-[(9E,11E,13E,15E)-9,11,13,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C40H72NO8P

(2R)-2-[(9E,11E,13E,15E)-9,11,13,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC40H72NO8P
  • Average mass725.975 Da
  • Monoisotopic mass725.499573 Da
  • ChemSpider ID24822298

  • 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-[(9E,11E,13E,15E)-9,11,13,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9E,11E,13E,15E)-9,11,13,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(9E,11E,13E,15E)-1-oxo-9,11,13,15-octadecatetraen-1-yl]oxy]-3-[(1-oxotetradecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(9E,11E,13E,15E)-9,11,13,15-octadecatetraenoyloxy]-3-(tetradecanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-tetradecanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphocholine
PC(14:0/18:4(9E,11E,13E,15E))
PC(14:0/18:4)
PC(14:0_18:4)
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: 8.80
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 340969.34
ACD/KOC (pH 5.5): 470341.56
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 340980.94
ACD/KOC (pH 7.4): 470357.56
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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