ChemSpider 2D Image | (2R,3R,6S)-2,6-Bis{[(2,2-dimethylpropanoyl)oxy]methyl}-4-methylene-1,7-di(4-morpholinyl)-1,7-dioxo-3-heptanyl benzoate | C35H50N2O10

(2R,3R,6S)-2,6-Bis{[(2,2-dimethylpropanoyl)oxy]methyl}-4-methylene-1,7-di(4-morpholinyl)-1,7-dioxo-3-heptanyl benzoate

  • Molecular FormulaC35H50N2O10
  • Average mass658.779 Da
  • Monoisotopic mass658.346558 Da
  • ChemSpider ID74179072

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,6S)-2,6-Bis{[(2,2-dimethylpropanoyl)oxy]methyl}-4-methylen-1,7-di(4-morpholinyl)-1,7-dioxo-3-heptanyl-benzoat [German] [ACD/IUPAC Name]
(2R,3R,6S)-2,6-Bis{[(2,2-dimethylpropanoyl)oxy]methyl}-4-methylene-1,7-di(4-morpholinyl)-1,7-dioxo-3-heptanyl benzoate [ACD/IUPAC Name]
Benzoate de (2R,3R,6S)-2,6-bis{[(2,2-diméthylpropanoyl)oxy]méthyl}-4-méthylène-1,7-di(4-morpholinyl)-1,7-dioxo-3-heptanyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (2R,3R,6S)-3-(benzoyloxy)-6-[(2,2-dimethyl-1-oxopropoxy)methyl]-4-methylene-7-(4-morpholinyl)-2-(4-morpholinylcarbonyl)-7-oxoheptyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 778.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.5±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2722.38
ACD/KOC (pH 5.5): 10007.63
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2722.38
ACD/KOC (pH 7.4): 10007.63
Polar Surface Area: 138 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 560.6±3.0 cm3

Click to predict properties on the Chemicalize site


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