ChemSpider 2D Image | (2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(stearoyloxy)propyl 2-{tris[(~2~H_3_)methyl]ammonio}ethyl phosphate | C48H75D9NO8P

(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(stearoyloxy)propyl 2-{tris[(2H3)methyl]ammonio}ethyl phosphate

  • Molecular FormulaC48H75D9NO8P
  • Average mass843.212 Da
  • Monoisotopic mass842.649963 Da
  • ChemSpider ID107444002

  • Double-bond stereo - Double-bond stereo

    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-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(stearoyloxy)propyl 2-{tris[(2H3)methyl]ammonio}ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(stearoyloxy)propyl-2-{tris[(2H3)methyl]ammonio}ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-2-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-tri(methyl-d3)-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-2-(stearoyloxy)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: 9
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 11.56
ACD/LogD (pH 5.5): 9.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 9.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement