ChemSpider 2D Image | (2R)-3-[(3,17-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate | C28H58NO7P

(2R)-3-[(3,17-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC28H58NO7P
  • Average mass551.736 Da
  • Monoisotopic mass551.395081 Da
  • ChemSpider ID10480984

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-3-[(3,17-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(3,17-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-[(3,17-dimethyl-1-oxooctadecyl)oxy]-2-hydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(3,17-diméthyloctadecanoyl)oxy]-2-hydroxypropyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
homaxicholine A

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: 8
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 134.61
ACD/KOC (pH 5.5): 1722.40
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 134.62
ACD/KOC (pH 7.4): 1722.45
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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