ChemSpider 2D Image | (2R)-3-{[(5Z,13E,15S)-15-Hydroxy-1,11-dioxoprosta-5,9,13-trien-1-yl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H82NO9P

(2R)-3-{[(5Z,13E,15S)-15-Hydroxy-1,11-dioxoprosta-5,9,13-trien-1-yl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H82NO9P
  • Average mass824.118 Da
  • Monoisotopic mass823.572693 Da
  • ChemSpider ID128425903

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{[(5Z,13E,15S)-15-Hydroxy-1,11-dioxoprosta-5,9,13-trien-1-yl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-{[(5Z,13E,15S)-15-Hydroxy-1,11-dioxoprosta-5,9,13-trien-1-yl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(5Z,13E,15S)-15-hydroxy-1,11-dioxoprosta-5,9,13-trien-1-yl]oxy]-2-[(1Z)-1-octadecen-1-yloxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-{[(5Z,13E,15S)-15-hydroxy-1,11-dioxoprosta-5,9,13-trién-1-yl]oxy}-2-[(1Z)-1-octadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]

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: 10
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 656016.94
ACD/KOC (pH 5.5): 751345.56
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 656039.94
ACD/KOC (pH 7.4): 751371.94
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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