ChemSpider 2D Image | Distearoylphosphatidylethanolamine | C41H82NO8P


  • Molecular FormulaC41H82NO8P
  • Average mass748.065 Da
  • Monoisotopic mass747.577820 Da
  • ChemSpider ID92622

More details:

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

1,2-distearoylphosphatidylethanolamine zwitterion
3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl stearate [ACD/IUPAC Name]
3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propylstearat [German] [ACD/IUPAC Name]
4537-76-2 [RN]
Octadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Stéarate de 3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl octadecanoate

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

CHEBI:47768 [DBID]
1G4B5265CQ [DBID]
EPA Pesticide Chemical Code 079011 [DBID]
LMGP02010025 [DBID]
LMGP02010148 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 760.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.5±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 210.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.83
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2552900.75
ACD/LogD (pH 7.4): 11.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2056706.63
Polar Surface Area: 144 Å2
Polarizability: 83.6±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 750.7±3.0 cm3

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