ChemSpider 2D Image | (3-endo)-8-(~2~H_3_)Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate | C17H20D3NO3

(3-endo)-8-(2H3)Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate

  • Molecular FormulaC17H20D3NO3
  • Average mass292.388 Da
  • Monoisotopic mass292.186615 Da
  • ChemSpider ID60498011

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-3-Hydroxy-2-phénylpropanoate de (3-endo)-8-(2H3)méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
(3-endo)-8-(2H3)Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate [ACD/IUPAC Name]
(3-endo)-8-(2H3)Methyl-8-azabicyclo[3.2.1]oct-3-yl-(2S)tropaat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-(methyl-d3)-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)- [ACD/Index Name]
(−)-Hyoscyamine-d3
(-)-Hyoscyamine-d3 (N-methyl-d3)
L-Hyoscyamine-d3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.7±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 242.4±5.0 cm3

Click to predict properties on the Chemicalize site


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