ChemSpider 2D Image | (2R)-3-[(~2~H_31_)Hexadecanoyloxy]-2-hydroxy(~2~H_5_)propyl 2-{tris[(~2~H_3_)methyl]ammonio}(~2~H_4_)ethyl phosphate | C24HD49NO7P

(2R)-3-[(2H31)Hexadecanoyloxy]-2-hydroxy(2H5)propyl 2-{tris[(2H3)methyl]ammonio}(2H4)ethyl phosphate

  • Molecular FormulaC24HD49NO7P
  • Average mass544.932 Da
  • Monoisotopic mass544.640076 Da
  • ChemSpider ID98645453
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-3-[(2H31)Hexadecanoyloxy]-2-hydroxy(2H5)propyl 2-{tris[(2H3)methyl]ammonio}(2H4)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(2H31)Hexadecanoyloxy]-2-hydroxy(2H5)propyl-2-{tris[(2H3)methyl]ammonio}(2H4)ethylphosphat [German] [ACD/IUPAC Name]
Ethan-1,1,2,2-d4-aminium, 2-[[hydroxy[[(2R)-2-hydroxy-3-[(1-oxohexadecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-d31)oxy]propyl-1,1,2,3,3-d5]oxy]phosphinyl]o
 xy]-N,N,N-tri(methyl-d3)-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(2H31)hexadecanoyloxy]-2-hydroxy(2H5)propyle et de 2-{tris[(2H3)m├ęthyl]ammonio}(2H4)├ęthyle [French] [ACD/IUPAC Name]
16:0 lyso PC-d49

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 24
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 33.98
ACD/KOC (pH 5.5): 642.94
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 33.98
ACD/KOC (pH 7.4): 642.96
Polar Surface Area: 115 Å2
Surface Tension:
Molar Volume:

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