ChemSpider 2D Image | N-[(1S,2R,3S,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)acetamide | C26H39NO5

N-[(1S,2R,3S,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)acetamide

  • Molecular FormulaC26H39NO5
  • Average mass445.592 Da
  • Monoisotopic mass445.282837 Da
  • ChemSpider ID60584788

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-Pyran-4-acetamide, tetrahydro-N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-N-methyl- [ACD/Index Name]
N-[(1S,2R,3S,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)acetamid [German] [ACD/IUPAC Name]
N-[(1S,2R,3S,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)acetamide [ACD/IUPAC Name]
N-[(1S,2R,3S,6S,8S)-2-Hydroxy-6-(2-hydroxyéthyl)-1-méthyl-8-phényl-10-oxabicyclo[4.3.1]déc-3-yl]-N-méthyl-2-(tétrahydro-2H-pyran-4-yl)acétamide [French] [ACD/IUPAC 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: 624.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.6±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.20
ACD/KOC (pH 5.5): 389.56
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.20
ACD/KOC (pH 7.4): 389.56
Polar Surface Area: 79 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site


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