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Search term: LHMCYUPJGCHSIB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(10E,12Z)-9-oxo-10,12-octadecadienoyl]oxy}propyl icosanoate | C43H80NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(10E,12Z)-9-oxo-10,12-octadecadienoyl]oxy}propyl icosanoate

  • Molecular FormulaC43H80NO9P
  • Average mass786.070 Da
  • Monoisotopic mass785.557068 Da
  • ChemSpider ID117218119
  • 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-{[(10E,12Z)-9-oxo-10,12-octadecadienoyl]oxy}propyl icosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(10E,12Z)-9-oxo-10,12-octadecadienoyl]oxy}propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(10E,12Z)-1,9-dioxo-10,12-octadecadien-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(10E,12Z)-9-oxo-10,12-octadecadienoyl]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: 810.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 443.7±37.1 °C
Index of Refraction: 1.486
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 13.52
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 247159.45
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 199119.92
Polar Surface Area: 161 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 768.1±3.0 cm3

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