ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E)-1-octadecen-1-yloxy]propyl icosanoate | C43H86NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E)-1-octadecen-1-yloxy]propyl icosanoate

  • Molecular FormulaC43H86NO7P
  • Average mass760.119 Da
  • Monoisotopic mass759.614197 Da
  • ChemSpider ID59698816

  • Double-bond stereo - Double-bond stereo

    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-[(1E)-1-octadecen-1-yloxy]propyl icosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E)-1-octadecen-1-yloxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1E)-1-octadecen-1-yloxy]propyl ester [ACD/Index Name]
Icosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1E)-1-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
(2-aminoethoxy)[(2R)-3-(icosanoyloxy)-2-(octadec-1-en-1-yloxy)propoxy]phosphinic acid
PE(20:0/dm18:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 772.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 420.9±35.7 °C
Index of Refraction: 1.476
Molar Refractivity: 220.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 17.41
ACD/LogD (pH 5.5): 12.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9894693.00
Polar Surface Area: 127 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 780.2±3.0 cm3

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