ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (11E)-11-icosenoate | C25H50NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (11E)-11-icosenoate

  • Molecular FormulaC25H50NO7P
  • Average mass507.641 Da
  • Monoisotopic mass507.332489 Da
  • ChemSpider ID59699859

  • 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

(11E)-11-Icosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (11E)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-(11E)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (11E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-hydroxy-3-(icos-11-enoyloxy)propoxy]phosphinic acid
LysoPE(20:1(11Z)/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: 617.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 327.4±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 68.67
ACD/KOC (pH 5.5): 139.79
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 55.67
ACD/KOC (pH 7.4): 113.32
Polar Surface Area: 138 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 474.2±3.0 cm3

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