ChemSpider 2D Image | (3S,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate | C22H25NO3

(3S,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate

  • Molecular FormulaC22H25NO3
  • Average mass351.439 Da
  • Monoisotopic mass351.183441 Da
  • ChemSpider ID23193358

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3S,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate [ACD/IUPAC Name]
(3S,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl-hydroxy(diphenyl)acetat [German] [ACD/IUPAC Name]
(3S,5S)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate
Benzeneacetic acid, α-hydroxy-α-phenyl-, (3S,5R)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
benzeneacetic acid, α-hydroxy-α-phenyl-, (3S,5S)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl ester
Hydroxy(diphényl)acétate de (3S,5R)-6-méthyl-6-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
(3S)-6-methyl-6-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2,2-diphenylacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL318812/
Hydroxy-diphenyl-acetic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-3-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 444.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.7±22.9 °C
Index of Refraction: 1.626
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 23.83
Polar Surface Area: 50 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

Click to predict properties on the Chemicalize site


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