ChemSpider 2D Image | (2R)-2,3-Bis[(9E,11E,13E)-9,11,13-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C44H76NO8P

(2R)-2,3-Bis[(9E,11E,13E)-9,11,13-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H76NO8P
  • Average mass778.050 Da
  • Monoisotopic mass777.530884 Da
  • ChemSpider ID24822584

  • 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)-2,3-Bis[(9E,11E,13E)-9,11,13-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9E,11E,13E)-9,11,13-octadecatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2,3-bis[[(9E,11E,13E)-1-oxo-9,11,13-octadecatrien-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2,3-bis[(9E,11E,13E)-9,11,13-octadecatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1,2-di-(9E,11E,13E-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC(18:3(9E,11E,13E)/18:3(9E,11E,13E))
PC(18:3/18:3)
PC(36:6)

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: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.89
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 539984.56
ACD/KOC (pH 5.5): 653629.94
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 540002.94
ACD/KOC (pH 7.4): 653652.19
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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