ChemSpider 2D Image | (2R)-3-{[(5Z,9alpha,13E,15S)-9,15-Dihydroxy-1,11-dioxoprosta-5,13-dien-1-yl]oxy}-2-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C42H76NO11P

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

  • Molecular FormulaC42H76NO11P
  • Average mass802.027 Da
  • Monoisotopic mass801.515625 Da
  • ChemSpider ID128425217

  • 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,9α,13E,15S)-9,15-Dihydroxy-1,11-dioxoprosta-5,13-dien-1-yl]oxy}-2-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-{[(5Z,9α,13E,15S)-9,15-Dihydroxy-1,11-dioxoprosta-5,13-dien-1-yl]oxy}-2-(tetradecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-[[(5Z,9α,13E,15S)-9,15-dihydroxy-1,11-dioxoprosta-5,13-dien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-{[(5Z,9α,13E,15S)-9,15-dihydroxy-1,11-dioxoprosta-5,13-dién-1-yl]oxy}-2-(tetradecanoyloxy)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: 12
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 1234.89
ACD/KOC (pH 5.5): 8416.03
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 1234.93
ACD/KOC (pH 7.4): 8416.31
Polar Surface Area: 179 Å2
Polarizability:
Surface Tension:
Molar Volume:

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