ChemSpider 2D Image | (2R)-3-{[(5Z,11alpha,13E,15S)-11,15-Dihydroxy-1,9-dioxoprosta-5,13-dien-1-yl]oxy}-2-[(1E)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C44H80NO10P

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

  • Molecular FormulaC44H80NO10P
  • Average mass814.081 Da
  • Monoisotopic mass813.552002 Da
  • ChemSpider ID128425877

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-3-{[(5Z,11α,13E,15S)-11,15-Dihydroxy-1,9-dioxoprosta-5,13-dien-1-yl]oxy}-2-[(1E)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-{[(5Z,11α,13E,15S)-11,15-Dihydroxy-1,9-dioxoprosta-5,13-dien-1-yl]oxy}-2-[(1E)-1-hexadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-[[(5Z,11α,13E,15S)-11,15-dihydroxy-1,9-dioxoprosta-5,13-dien-1-yl]oxy]-2-[(1E)-1-hexadecen-1-yloxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-{[(5Z,11α,13E,15S)-11,15-dihydroxy-1,9-dioxoprosta-5,13-dién-1-yl]oxy}-2-[(1E)-1-hexadécén-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: 11
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 15009.29
ACD/KOC (pH 5.5): 50297.70
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 15009.82
ACD/KOC (pH 7.4): 50299.46
Polar Surface Area: 161 Å2
Polarizability:
Surface Tension:
Molar Volume:

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