ChemSpider 2D Image | 1-Stearoyl-2-15(S)-HETE-sn-glycero-3-PC | C46H84NO9P

1-Stearoyl-2-15(S)-HETE-sn-glycero-3-PC

  • Molecular FormulaC46H84NO9P
  • Average mass826.134 Da
  • Monoisotopic mass825.588379 Da
  • ChemSpider ID71117156

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-{[(5Z,8Z,11Z,13E,15S)-15-Hydroxy-5,8,11,13-icosatetraenoyl]oxy}-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-{[(5Z,8Z,11Z,13E,15S)-15-Hydroxy-5,8,11,13-icosatetraenoyl]oxy}-3-(stearoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
154436-51-8 [RN]
1-Stearoyl-2-15(S)-HETE-sn-glycero-3-PC
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(5Z,8Z,11Z,13E,15S)-15-hydroxy-1-oxo-5,8,11,13-eicosatetraen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-{[(5Z,8Z,11Z,13E,15S)-15-hydroxy-5,8,11,13-icosatetraenoyl]oxy}-3-(stearoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(7R,13Z,16Z,19Z,21E,23S)-4,23-dihydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxooctadecyl)oxy]methyl]-3,5,8-trioxa-4-phosphaoctacosa-13,16,19,21-tetraen-1-aminium4-oxide,innersalt
[(2R)-2-[(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

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: 42
#Rule of 5 Violations: 3
ACD/LogP: 10.10
ACD/LogD (pH 5.5): 8.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2863909.25
ACD/LogD (pH 7.4): 8.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2864006.75
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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