ChemSpider 2D Image | (12R)-9-Hydroxy-2,2-dimethyl-9-oxido-4,15-dioxo-3,8,10,14-tetraoxa-5-aza-9lambda~5~-phosphatriacontan-12-yl palmitate | C42H82NO10P

(12R)-9-Hydroxy-2,2-dimethyl-9-oxido-4,15-dioxo-3,8,10,14-tetraoxa-5-aza-9λ5-phosphatriacontan-12-yl palmitate

  • Molecular FormulaC42H82NO10P
  • Average mass792.075 Da
  • Monoisotopic mass791.567627 Da
  • ChemSpider ID8708706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12R)-9-Hydroxy-2,2-dimethyl-9-oxido-4,15-dioxo-3,8,10,14-tetraoxa-5-aza-9λ5-phosphatriacontan-12-yl palmitate [ACD/IUPAC Name]
(12R)-9-Hydroxy-2,2-dimethyl-9-oxido-4,15-dioxo-3,8,10,14-tetraoxa-5-aza-9λ5-phosphatriacontan-12-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-1-[[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Palmitate de (12R)-9-hydroxy-2,2-diméthyl-4,15-dioxo-9-oxydo-3,8,10,14-tétraoxa-5-aza-9λ5-phosphatriacontan-12-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.472
Molar Refractivity: 217.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.48
ACD/LogD (pH 5.5): 10.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 399925.22
ACD/LogD (pH 7.4): 10.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 333510.81
Polar Surface Area: 157 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 775.9±3.0 cm3

Click to predict properties on the Chemicalize site


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