ChemSpider 2D Image | (2S)-2-(Hexadecyloxy)-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C44H80NO7P

(2S)-2-(Hexadecyloxy)-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H80NO7P
  • Average mass766.082 Da
  • Monoisotopic mass765.567261 Da
  • ChemSpider ID27472356
  • 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

(2S)-2-(Hexadecyloxy)-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-2-(Hexadecyloxy)-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2S)-2-(hexadecyloxy)-3-[[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S)-2-(hexadécyloxy)-3-[(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
132196-28-2 [RN]
1-O-HEXADECYL-2-EICOSAPENTAENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

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: 8
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 10.55
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2194621.50
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2194701.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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