ChemSpider 2D Image | N-[(1S,2S,3R,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-1-methylcyclohexanecarboxamide | C26H39NO4

N-[(1S,2S,3R,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-1-methylcyclohexanecarboxamide

  • Molecular FormulaC26H39NO4
  • Average mass429.592 Da
  • Monoisotopic mass429.287903 Da
  • ChemSpider ID60584716
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

Cyclohexanecarboxamide, N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-1-methyl- [ACD/Index Name]
N-[(1S,2S,3R,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-1-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(1S,2S,3R,6S,8S)-2-Hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-3-yl]-1-methylcyclohexanecarboxamide [ACD/IUPAC Name]
N-[(1S,2S,3R,6S,8S)-2-Hydroxy-6-(2-hydroxyéthyl)-1-méthyl-8-phényl-10-oxabicyclo[4.3.1]déc-3-yl]-1-méthylcyclohexanecarboxamide [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: 628.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 365.26
ACD/KOC (pH 5.5): 2376.39
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 365.26
ACD/KOC (pH 7.4): 2376.38
Polar Surface Area: 79 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 368.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement