ChemSpider 2D Image | 1-{(3S)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}-2-(5,6,7,8-tetrahydro-2-naphthalenyloxy)ethanone | C28H41NO5

1-{(3S)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}-2-(5,6,7,8-tetrahydro-2-naphthalenyloxy)ethanone

  • Molecular FormulaC28H41NO5
  • Average mass471.629 Da
  • Monoisotopic mass471.298462 Da
  • ChemSpider ID68647220

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{(3S)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-méthyltétrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]déc-8-yl}-2-(5,6,7,8-tétrahydro-2-naphtalényloxy)éthanone [French] [ACD/IUPAC Name]
1-{(3S)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}-2-(5,6,7,8-tetrahydro-2-naphthalenyloxy)ethanone [ACD/IUPAC Name]
1-{(3S)-3-[(2R,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl}-2-(5,6,7,8-tetrahydro-2-naphthalinyloxy)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(3S)-3-[(2R,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-[(5,6,7,8-tetrahydro-2-naphthalenyl)oxy]- [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: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 685.26
ACD/KOC (pH 5.5): 3728.28
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 685.27
ACD/KOC (pH 7.4): 3728.28
Polar Surface Area: 68 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 393.7±5.0 cm3

Click to predict properties on the Chemicalize site


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