ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoyl]oxy}propyl icosanoate | C43H80NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoyl]oxy}propyl icosanoate

  • Molecular FormulaC43H80NO9P
  • Average mass786.070 Da
  • Monoisotopic mass785.557068 Da
  • ChemSpider ID117218159
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoyl]oxy}propyl icosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoyl]oxy}propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9E,11E,15E)-13-hydroxy-1-oxo-9,11,15-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoyl]oxy}propyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 806.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.5±6.0 kJ/mol
Flash Point: 441.3±37.1 °C
Index of Refraction: 1.494
Molar Refractivity: 221.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.55
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 157952.63
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 127252.05
Polar Surface Area: 164 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 762.4±3.0 cm3

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