ChemSpider 2D Image | 2-(2,6-Dimethylphenoxy)-1-{(3S)-3-[(2R,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}ethanone | C26H39NO5

2-(2,6-Dimethylphenoxy)-1-{(3S)-3-[(2R,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}ethanone

  • Molecular FormulaC26H39NO5
  • Average mass445.592 Da
  • Monoisotopic mass445.282837 Da
  • ChemSpider ID68385461

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(2,6-Dimethylphenoxy)-1-{(3S)-3-[(2R,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}ethanon [German] [ACD/IUPAC Name]
2-(2,6-Dimethylphenoxy)-1-{(3S)-3-[(2R,5S)-5-(2-hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}ethanone [ACD/IUPAC Name]
2-(2,6-Diméthylphénoxy)-1-{(3S)-3-[(2R,5S)-5-(2-hydroxy-2-propanyl)-2-méthyltétrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]déc-8-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2,6-dimethylphenoxy)-1-[(3S)-3-[(2R,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl]- [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: 604.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.22
ACD/KOC (pH 5.5): 1950.64
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.22
ACD/KOC (pH 7.4): 1950.64
Polar Surface Area: 68 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 380.3±5.0 cm3

Click to predict properties on the Chemicalize site


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