ChemSpider 2D Image | (1R,2S,5R)-2-{2-[(2S,6S)-7,7-Dimethyl-2-phenyl-6-(phenylselanyl)-1,4-oxazepan-4-yl]-2-propanyl}-5-methylcyclohexanol | C29H41NO2Se

(1R,2S,5R)-2-{2-[(2S,6S)-7,7-Dimethyl-2-phenyl-6-(phenylselanyl)-1,4-oxazepan-4-yl]-2-propanyl}-5-methylcyclohexanol

  • Molecular FormulaC29H41NO2Se
  • Average mass514.601 Da
  • Monoisotopic mass515.230225 Da
  • ChemSpider ID10164392

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,5R)-2-{2-[(2S,6S)-7,7-Dimethyl-2-phenyl-6-(phenylselanyl)-1,4-oxazepan-4-yl]-2-propanyl}-5-methylcyclohexanol [ACD/IUPAC Name]
(1R,2S,5R)-2-{2-[(2S,6S)-7,7-Dimethyl-2-phenyl-6-(phenylselanyl)-1,4-oxazepan-4-yl]-2-propanyl}-5-methylcyclohexanol [German] [ACD/IUPAC Name]
(1R,2S,5R)-2-{2-[(2S,6S)-7,7-Diméthyl-2-phényl-6-(phénylsélanyl)-1,4-oxazépan-4-yl]-2-propanyl}-5-méthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 5-methyl-2-[1-methyl-1-[(2S,6S)-tetrahydro-7,7-dimethyl-2-phenyl-6-(phenylseleno)-1,4-oxazepin-4(5H)-yl]ethyl]-, (1R,2S,5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 1891.79
ACD/KOC (pH 5.5): 2306.05
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 69006.44
ACD/KOC (pH 7.4): 84117.38
Polar Surface Area: 33 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement