Deprecated ChemSpider Record

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ChemSpider 2D Image | 2-(Trimethylammonio)ethyl {[1-acetoxy-2-(hexadecyloxy)ethoxy]methyl}phosphonate | C26H54NO7P

2-(Trimethylammonio)ethyl {[1-acetoxy-2-(hexadecyloxy)ethoxy]methyl}phosphonate

  • Molecular FormulaC26H54NO7P
  • Average mass523.683 Da
  • Monoisotopic mass523.363770 Da
  • ChemSpider ID26286744

More details:





Date of deprecation: 10:48, May 8, 2015
Reason for deprecation: Deprecate record: initially deposited probably as erroneous representation of http://www.chemspider.com/Chemical-Structure.97241.html. Now lacks verifiable supporting datasources

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

{[1-Acétoxy-2-(hexadécyloxy)éthoxy]méthyl}phosphonate de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
2-(Trimethylammonio)ethyl {[1-acetoxy-2-(hexadecyloxy)ethoxy]methyl}phosphonate [ACD/IUPAC Name]
2-(Trimethylammonio)ethyl-{[1-acetoxy-2-(hexadecyloxy)ethoxy]methyl}phosphonat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[[1-(acetyloxy)-2-(hexadecyloxy)ethoxy]methyl]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 96.37
ACD/KOC (pH 5.5): 1355.92
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 96.38
ACD/KOC (pH 7.4): 1356.09
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





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