ChemSpider 2D Image | (1R,2R,5R,7R,10S,14S,16S)-5,14-Diethyl-2,11-dimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.1~7,10~]icosane-3,12-dione | C22H36O6

(1R,2R,5R,7R,10S,14S,16S)-5,14-Diethyl-2,11-dimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

  • Molecular FormulaC22H36O6
  • Average mass396.518 Da
  • Monoisotopic mass396.251190 Da
  • ChemSpider ID78436578

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,2R,5R,7R,10S,14S,16S)-5,14-Diethyl-2,11-dimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosan-3,12-dion [German] [ACD/IUPAC Name]
(1R,2R,5R,7R,10S,14S,16S)-5,14-Diethyl-2,11-dimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione [ACD/IUPAC Name]
(1R,2R,5R,7R,10S,14S,16S)-5,14-Diéthyl-2,11-diméthyl-4,13,19,20-tétraoxatricyclo[14.2.1.17,10]icosane-3,12-dione [French] [ACD/IUPAC Name]
4,13,19,20-Tetraoxatricyclo[14.2.1.17,10]eicosane-3,12-dione, 5,14-diethyl-2,11-dimethyl-, (1R,2R,5R,7R,10S,14S,16S)- [ACD/Index Name]
Antifungal macrolide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 575.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 248.6±30.2 °C
Index of Refraction: 1.450
Molar Refractivity: 104.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.97
ACD/KOC (pH 5.5): 1679.78
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.97
ACD/KOC (pH 7.4): 1679.78
Polar Surface Area: 71 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 389.1±3.0 cm3

Click to predict properties on the Chemicalize site


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