ChemSpider 2D Image | (2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C50H86NO8P

(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC50H86NO8P
  • Average mass860.193 Da
  • Monoisotopic mass859.609131 Da
  • ChemSpider ID24767270

  • 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-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(13Z,16Z)-1-oxo-13,16-docosadien-1-yl]oxy]-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(13Z,16Z)-13,16-docosadienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(13Z,16Z-docosadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphocholine
1-Docosadienoyl-2-eicosapentaenoyl-sn-glycero-3-phosphocholine
GPCho(22:2/20:5)
GPCho(22:2n6/20:5n3)
GPCho(22:2w6/20:5w3)
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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: 43
#Rule of 5 Violations: 2
ACD/LogP: 12.20
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5694824.00
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5695017.50
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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