ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11E)-11-icosenoyloxy]propyl tetracosanoate | C49H96NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11E)-11-icosenoyloxy]propyl tetracosanoate

  • Molecular FormulaC49H96NO8P
  • Average mass858.262 Da
  • Monoisotopic mass857.687378 Da
  • ChemSpider ID59699278

  • 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-[(11E)-11-icosenoyloxy]propyl tetracosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11E)-11-icosenoyloxy]propyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(11E)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(11E)-1-oxo-11-eicosen-1-yl]oxy]propyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(icos-11-enoyloxy)-3-(tetracosanoyloxy)propoxy]phosphinic acid
PE(24:0/20:1(11Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 829.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 455.2±37.1 °C
Index of Refraction: 1.478
Molar Refractivity: 248.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 19.56
ACD/LogD (pH 5.5): 13.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 98.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 876.4±3.0 cm3

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