ChemSpider 2D Image | (2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H92NO8P

(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H92NO8P
  • Average mass842.220 Da
  • Monoisotopic mass841.656067 Da
  • ChemSpider ID24766749
  • 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-[(13Z)-13-Docosenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(13Z)-13-docosenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Vaccenoyl-2-erucoyl-sn-glycero-3-phosphocholine
GPCho(18:1/22:1)
GPCho(18:1n7/22:1n9)
GPCho(18:1w7/22:1w9)
GPCho(40:2)
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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): 11.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.24
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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