ChemSpider 2D Image | (1R,2S,3S,5R)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid | C9H15NO3

(1R,2S,3S,5R)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

  • Molecular FormulaC9H15NO3
  • Average mass185.220 Da
  • Monoisotopic mass185.105194 Da
  • ChemSpider ID97510030

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,5R)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,2S,3S,5R)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (1R,2S,3S,5R)- [ACD/Index Name]
Acide (1R,2S,3S,5R)-3-hydroxy-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 376.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.2±6.0 kJ/mol
Flash Point: 181.4±26.5 °C
Index of Refraction: 1.560
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

Click to predict properties on the Chemicalize site


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