ChemSpider 2D Image | (1S,3R,5S,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate | C17H23NO4

(1S,3R,5S,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate

  • Molecular FormulaC17H23NO4
  • Average mass305.369 Da
  • Monoisotopic mass305.162720 Da
  • ChemSpider ID28420772

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3R,5S,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate [ACD/IUPAC Name]
(1S,3R,5S,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl-(2R)tropaat [German] [ACD/IUPAC Name]
(2R)-3-Hydroxy-2-phénylpropanoate de (1S,3R,5S,6R)-6-hydroxy-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(hydroxymethyl)-, (1S,3R,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αR)- [ACD/Index Name]
134355-54-7 [RN]
Raceanisodamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 474.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.8±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.78
Polar Surface Area: 70 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 240.4±5.0 cm3

Click to predict properties on the Chemicalize site


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