ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphapentacosan-9-yl stearate | C39H78NO8P

6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacosan-9-yl stearate

  • Molecular FormulaC39H78NO8P
  • Average mass720.012 Da
  • Monoisotopic mass719.546509 Da
  • ChemSpider ID74850649

More details:

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

6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacosan-9-yl stearate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacosan-9-ylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de 6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphapentacosan-9-yle [French] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy][2-(octadecanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphinic acid
2-(dimethylamino)ethoxy(2-(octadecanoyloxy)-3-(tetradecanoyloxy)propoxy)phosphinic acid
PE-NMe2(14:0/18:0)

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 726.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 393.1±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.43
ACD/LogD (pH 5.5): 10.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 993154.69
ACD/LogD (pH 7.4): 10.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 927201.38
Polar Surface Area: 121 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 721.3±3.0 cm3

Click to predict properties on the Chemicalize site


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