ChemSpider 2D Image | 2-Ammonioethyl (2R)-3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl phosphate | C39H80NO6P

2-Ammonioethyl (2R)-3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl phosphate

  • Molecular FormulaC39H80NO6P
  • Average mass690.029 Da
  • Monoisotopic mass689.572327 Da
  • ChemSpider ID98645211

  • 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

2-Ammonioethyl (2R)-3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl phosphate [ACD/IUPAC Name]
2-Ammonioethyl-(2R)-3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propylphosphat [German] [ACD/IUPAC Name]
Phosphate de 2-ammonioéthyle et de (2R)-3-(hexadécyloxy)-2-[(9Z)-9-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2R)-3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl ester [ACD/Index Name]
141456-20-4 [RN]
16:0-18:1 Diether PE

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

Density:
Boiling Point: 717.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.93
ACD/LogD (pH 5.5): 10.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1382396.50
ACD/LogD (pH 7.4): 10.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1122795.38
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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