ChemSpider 2D Image | (2R)-3-(Hexadecyloxy)-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C42H82NO7P

(2R)-3-(Hexadecyloxy)-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H82NO7P
  • Average mass744.077 Da
  • Monoisotopic mass743.582886 Da
  • ChemSpider ID59695271

  • 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-(Hexadecyloxy)-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-(Hexadecyloxy)-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-(hexadecyloxy)-2-[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-(hexadécyloxy)-2-[(9E,12E)-9,12-octadecadienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(hexadecyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
[(2R)-3-hexadecoxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-trimethylazaniumylethyl phosphate
1-hexadecyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
2-(9Z,12Z-Octadecadienoyl)-1-hexadecyl-sn-glycero-3-phosphocholine
88542-95-4 [RN]
PC(16:0e/18:2(9Z,12Z))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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: 40
#Rule of 5 Violations: 2
ACD/LogP: 11.41
ACD/LogD (pH 5.5): 10.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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