ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-5,7,11-trioxa-2-aza-6lambda~5~-phosphatricosan-9-yl acetate | C21H44NO7P

6-Hydroxy-2-methyl-6-oxido-5,7,11-trioxa-2-aza-6λ5-phosphatricosan-9-yl acetate

  • Molecular FormulaC21H44NO7P
  • Average mass453.550 Da
  • Monoisotopic mass453.285553 Da
  • ChemSpider ID57505725

More details:






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

6-Hydroxy-2-methyl-6-oxido-5,7,11-trioxa-2-aza-6λ5-phosphatricosan-9-yl acetate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-5,7,11-trioxa-2-aza-6λ5-phosphatricosan-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 6-hydroxy-2-méthyl-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphatricosan-9-yle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-(acetyloxy)-3-(dodecyloxy)propyl 2-(dimethylamino)ethyl ester [ACD/Index Name]
2-(ACETYLOXY)-3-(DODECYLOXY)PROPOXY(2-(DIMETHYLAMINO)ETHOXY)PHOSPHINIC ACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 271.7±32.9 °C
Index of Refraction: 1.467
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 8.35
ACD/KOC (pH 5.5): 30.95
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 28.92
Polar Surface Area: 104 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site






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