ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl henicosanoate | C26H54NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl henicosanoate

  • Molecular FormulaC26H54NO7P
  • Average mass523.683 Da
  • Monoisotopic mass523.363770 Da
  • ChemSpider ID113376041

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl henicosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester [ACD/Index Name]
Hénicosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
1-heneicosanoyl-glycero-3-phosphoethanolamine
LPE(21:0)
PE(21:0/0:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 333.6±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 545.48
ACD/KOC (pH 5.5): 616.16
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 442.17
ACD/KOC (pH 7.4): 499.46
Polar Surface Area: 138 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 497.1±3.0 cm3

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