ChemSpider 2D Image | (2R)-3-[(4E,7E,10E,13E,16E,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C44H76NO8P

(2R)-3-[(4E,7E,10E,13E,16E,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H76NO8P
  • Average mass778.050 Da
  • Monoisotopic mass777.530884 Da
  • ChemSpider ID59695251

  • 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-[(4E,7E,10E,13E,16E,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(4E,7E,10E,13E,16E,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(tetradecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(4E,7E,10E,13E,16E,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(4E,7E,10E,13E,16E,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-2-(tetradecanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(docosa-4,7,10,13,16,19-hexaenoyloxy)-2-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
1-Docosahexaenoyl-2-myristoyl-sn-glycero-3-phosphocholine
GPCho(22:6/14:0)
GPCho(22:6n3/14:0)
GPCho(22:6w3/14:0)
GPCho(36:6)
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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: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.44
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 832947.44
ACD/KOC (pH 5.5): 891394.38
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 832975.75
ACD/KOC (pH 7.4): 891424.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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