ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriacontan-9-yl docosanoate | C48H96NO8P

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

  • Molecular FormulaC48H96NO8P
  • Average mass846.252 Da
  • Monoisotopic mass845.687378 Da
  • ChemSpider ID74850170

More details:

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

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl docosanoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriacontan-9-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[(1-oxoeicosyl)oxy]methyl]ethyl ester [ACD/Index Name]
[2-(docosanoyloxy)-3-(icosanoyloxy)propoxy][2-(methylamino)ethoxy]phosphinic acid
2-(docosanoyloxy)-3-(icosanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(20:0/22:0)

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: 813.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 446.0±37.1 °C
Index of Refraction: 1.471
Molar Refractivity: 243.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 19.25
ACD/LogD (pH 5.5): 14.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 871.4±3.0 cm3

Click to predict properties on the Chemicalize site


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