ChemSpider 2D Image | (1S,2R,5R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one | C21H23NO2

(1S,2R,5R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC21H23NO2
  • Average mass321.413 Da
  • Monoisotopic mass321.172882 Da
  • ChemSpider ID30657320

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,5R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(1S,2R,5R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(1S,2R,5R)-8-Benzyl-2-[(S)-hydroxy(phényl)méthyl]-8-azabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-one, 2-[(S)-hydroxyphenylmethyl]-8-(phenylmethyl)-, (1S,2R,5R)- [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: 478.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.0±25.9 °C
Index of Refraction: 1.626
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 17.15
ACD/KOC (pH 7.4): 203.07
Polar Surface Area: 41 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 265.4±3.0 cm3

Click to predict properties on the Chemicalize site


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