ChemSpider 2D Image | {(3R)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}(4-isopropoxyphenyl)methanone | C26H39NO5

{(3R)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}(4-isopropoxyphenyl)methanone

  • Molecular FormulaC26H39NO5
  • Average mass445.592 Da
  • Monoisotopic mass445.282837 Da
  • ChemSpider ID60579034

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(3R)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}(4-isopropoxyphenyl)methanon [German] [ACD/IUPAC Name]
{(3R)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}(4-isopropoxyphenyl)methanone [ACD/IUPAC Name]
{(3R)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-méthyltétrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]déc-8-yl}(4-isopropoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1-methylethoxy)phenyl][(3R)-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: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.5±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.88
ACD/KOC (pH 5.5): 1700.67
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.89
ACD/KOC (pH 7.4): 1700.68
Polar Surface Area: 68 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 381.4±5.0 cm3

Click to predict properties on the Chemicalize site


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