ChemSpider 2D Image | (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H80NO8P

(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H80NO8P
  • Average mass830.125 Da
  • Monoisotopic mass829.562134 Da
  • ChemSpider ID24767169

  • 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-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner sa lt [ACD/Index Name]
Phosphate de (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphocholine
1-Eicosapentaenoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphocholine
1-Eicosapentaenoyl-2-homo-γ-linolenoyl-sn-glycero-3-phosphocholine
GPCho(20:5/20:3)
GPCho(20:5n3/20:3n6)
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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: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 8.00
ACD/BCF (pH 5.5): 984509.38
ACD/KOC (pH 5.5): 1004702.63
ACD/LogD (pH 7.4): 8.00
ACD/BCF (pH 7.4): 984542.88
ACD/KOC (pH 7.4): 1004736.81
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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