ChemSpider 2D Image | 2-Aminoethyl (2R)-2-hydroxy-3-{[(6Z)-2-methoxy-6-tetradecen-1-yl]oxy}propyl hydrogen phosphate | C20H42NO7P

2-Aminoethyl (2R)-2-hydroxy-3-{[(6Z)-2-methoxy-6-tetradecen-1-yl]oxy}propyl hydrogen phosphate

  • Molecular FormulaC20H42NO7P
  • Average mass439.524 Da
  • Monoisotopic mass439.269897 Da
  • ChemSpider ID113376044

  • 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

2-Aminoethyl (2R)-2-hydroxy-3-{[(6Z)-2-methoxy-6-tetradecen-1-yl]oxy}propyl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-(2R)-2-hydroxy-3-{[(6Z)-2-methoxy-6-tetradecen-1-yl]oxy}propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de (2R)-2-hydroxy-3-{[(6Z)-2-méthoxy-6-tétradécén-1-yl]oxy}propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2R)-2-hydroxy-3-[[(6Z)-2-methoxy-6-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
1-(2-methoxy-6Z-tetradecenyl)-sn-glycero-3-phosphoethanolamine
PE(O-14:1/0:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 287.0±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 130 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 401.3±3.0 cm3

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