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

2-Aminoethyl 3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl hydrogen phosphate

  • Molecular FormulaC39H80NO6P
  • Average mass690.029 Da
  • Monoisotopic mass689.572327 Da
  • ChemSpider ID57507657

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Aminoethyl 3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de 3-(hexadécyloxy)-2-[(9Z)-9-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl 3-(hexadecyloxy)-2-[(9Z)-9-octadecen-1-yloxy]propyl ester [ACD/Index Name]
2-AMINOETHOXY(3-(HEXADECYLOXY)-2-[(9Z)-OCTADEC-9-EN-1-YLOXY]PROPOXY)PHOSPHINIC ACID

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

Density: 1.0±0.1 g/cm3
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: 1.474
Molar Refractivity: 201.7±0.3 cm3
#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: 110 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 717.1±3.0 cm3

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