ChemSpider 2D Image | (2R)-2-[(5-Oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-{tris[(~2~H_3_)methyl]ammonio}ethyl phosphate | C29H47D9NO9P

(2R)-2-[(5-Oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-{tris[(2H3)methyl]ammonio}ethyl phosphate

  • Molecular FormulaC29H47D9NO9P
  • Average mass602.786 Da
  • Monoisotopic mass602.425781 Da
  • ChemSpider ID58784959

  • 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)-2-[(5-Oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-{tris[(2H3)methyl]ammonio}ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(5-Oxopentanoyl)oxy]-3-(palmitoyloxy)propyl-2-{tris[(2H3)methyl]ammonio}ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2-[(1,5-dioxopentyl)oxy]-3-[(1-oxohexadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-tri(methyl-d3)-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(5-oxopentanoyl)oxy]-3-(palmitoyloxy)propyle et de 2-{tris[(2H3)méthyl]ammonio}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: 10
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 123.96
ACD/KOC (pH 5.5): 1623.72
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 123.97
ACD/KOC (pH 7.4): 1623.78
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

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