ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphapentacosan-9-yl docosanoate | C43H86NO8P

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

  • Molecular FormulaC43H86NO8P
  • Average mass776.119 Da
  • Monoisotopic mass775.609131 Da
  • ChemSpider ID74850678

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 docosanoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacosan-9-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphapentacosan-9-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
[2-(dimethylamino)ethoxy][2-(docosanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphinic acid
2-(dimethylamino)ethoxy(2-(docosanoyloxy)-3-(tetradecanoyloxy)propoxy)phosphinic acid
PE-NMe2(14:0/22:0)

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: 763.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 415.3±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.56
ACD/LogD (pH 5.5): 12.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7567925.00
ACD/LogD (pH 7.4): 12.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7065354.50
Polar Surface Area: 121 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 787.3±3.0 cm3

Click to predict properties on the Chemicalize site


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