ChemSpider 2D Image | 2-Aminoethyl 2-hydroxy-3-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl hydrogen phosphate | C23H46NO7P

2-Aminoethyl 2-hydroxy-3-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl hydrogen phosphate

  • Molecular FormulaC23H46NO7P
  • Average mass479.588 Da
  • Monoisotopic mass479.301178 Da
  • ChemSpider ID95712329

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Aminoethyl 2-hydroxy-3-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-2-hydroxy-3-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de 2-hydroxy-3-{[(1E,9E)-1-hydroxy-1,9-octadécadién-1-yl]oxy}propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl 2-hydroxy-3-[[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy]propyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 333.8±34.3 °C
Index of Refraction: 1.504
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 9.92
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 8.05
Polar Surface Area: 141 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 435.0±3.0 cm3

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