ChemSpider 2D Image | (2R)-3-(Docosanoyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H92NO8P

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

  • Molecular FormulaC48H92NO8P
  • Average mass842.220 Da
  • Monoisotopic mass841.656067 Da
  • ChemSpider ID24767194
  • 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-(Docosanoyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-(Docosanoyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxodocosyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-(docosanoyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(docosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-22:0-2-18:2-phosphatidylcholine
1-Behenoyl-2-linoleoyl-sn-glycero-3-phosphocholine
1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
22:0-18:2-PC
GPCho(22:0/18:2)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 46
#Rule of 5 Violations: 2
ACD/LogP: 14.09
ACD/LogD (pH 5.5): 12.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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