ChemSpider 2D Image | (2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C52H92NO8P

(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC52H92NO8P
  • Average mass890.263 Da
  • Monoisotopic mass889.656067 Da
  • ChemSpider ID24767306

  • 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,16Z)-13,16-Docosadienoyloxy]-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(13Z,16Z)-1-oxo-13,16-docosadien-1-yl]oxy]-3-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(13Z,16Z)-13,16-docosadienoyloxy]-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholine
1-Adrenoyl-2-docosadienoyl-sn-glycero-3-phosphocholine
GPCho(22:4/22:2)
GPCho(22:4n6/22:2n6)
GPCho(22:4w6/22:2w6)
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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: 9
#H bond donors: 1
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 13.82
ACD/LogD (pH 5.5): 10.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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