ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (11E)-11-icosenoate | C40H78NO8P

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

  • Molecular FormulaC40H78NO8P
  • Average mass732.023 Da
  • Monoisotopic mass731.546509 Da
  • ChemSpider ID59698821

  • 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-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (11E)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl-(11E)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester, (11E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(icos-11-enoyloxy)-2-(pentadecanoyloxy)propoxy]phosphinic acid
PE(20:1(11Z)/15:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 750.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 407.8±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 206.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.78
ACD/LogD (pH 5.5): 10.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 644330.56
ACD/LogD (pH 7.4): 10.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 519095.38
Polar Surface Area: 144 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 727.8±3.0 cm3

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