ChemSpider 2D Image | 2-(Dimethylammonio)ethyl (2R)-3-[(15-methylhexadecyl)oxy]-2-[(11Z)-11-octadecenoyloxy]propyl phosphate | C42H84NO7P

2-(Dimethylammonio)ethyl (2R)-3-[(15-methylhexadecyl)oxy]-2-[(11Z)-11-octadecenoyloxy]propyl phosphate

  • Molecular FormulaC42H84NO7P
  • Average mass746.093 Da
  • Monoisotopic mass745.598511 Da
  • ChemSpider ID8756269

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(Dimethylammonio)ethyl (2R)-3-[(15-methylhexadecyl)oxy]-2-[(11Z)-11-octadecenoyloxy]propyl phosphate [ACD/IUPAC Name]
2-(Dimethylammonio)ethyl-(2R)-3-[(15-methylhexadecyl)oxy]-2-[(11Z)-11-octadecenoyloxy]propylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(15-methylhexadecyl)oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N-dimethyl-, inner salt [ACD/Index Name]
Phosphate de 2-(diméthylammonio)éthyle et de (2R)-3-[(15-méthylhexadécyl)oxy]-2-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 740.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.83
ACD/LogD (pH 5.5): 9.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 372516.09
ACD/LogD (pH 7.4): 9.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 347922.06
Polar Surface Area: 108 Å2
Polarizability:
Surface Tension:
Molar Volume:

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