ChemSpider 2D Image | (2R)-2-[(1Z)-1-Octadecen-1-yloxy]-3-{[(9alpha,11alpha,13E,15S)-9,11,15-trihydroxy-1-oxoprost-13-en-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | C46H88NO10P

(2R)-2-[(1Z)-1-Octadecen-1-yloxy]-3-{[(9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprost-13-en-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H88NO10P
  • Average mass846.165 Da
  • Monoisotopic mass845.614563 Da
  • ChemSpider ID128425911

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-2-[(1Z)-1-Octadecen-1-yloxy]-3-{[(9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprost-13-en-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(1Z)-1-Octadecen-1-yloxy]-3-{[(9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprost-13-en-1-yl]oxy}propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[(1Z)-1-octadecen-1-yloxy]-3-[[(9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprost-13-en-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(1Z)-1-octadécén-1-yloxy]-3-{[(9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprost-13-én-1-yl]oxy}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: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 96639.17
ACD/KOC (pH 5.5): 190754.03
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 96642.57
ACD/KOC (pH 7.4): 190760.73
Polar Surface Area: 165 Å2
Polarizability:
Surface Tension:
Molar Volume:

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