ChemSpider 2D Image | (2S)-2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropyl palmitate | C21H44NO7P

(2S)-2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropyl palmitate

  • Molecular FormulaC21H44NO7P
  • Average mass453.550 Da
  • Monoisotopic mass453.285553 Da
  • ChemSpider ID57409126
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropyl palmitate [ACD/IUPAC Name]
(2S)-2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (2S)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-3-hydroxypropyl ester [ACD/Index Name]
Palmitate de (2S)-2-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-hydroxypropyl palmitate
1-palmitoyl-sn-glycero-3-phosphoethanolamine
53862-35-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 288.5±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 13.45
ACD/KOC (pH 5.5): 43.51
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 10.74
ACD/KOC (pH 7.4): 34.77
Polar Surface Area: 138 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

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