ChemSpider 2D Image | (1R,5S)-8-(2-{(1S,5S)-3-[(3,4-Dimethoxybenzoyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}ethyl)-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate | C34H44N2O8

(1R,5S)-8-(2-{(1S,5S)-3-[(3,4-Dimethoxybenzoyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}ethyl)-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID57263324

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,5S)-8-(2-{(1S,5S)-3-[(3,4-Dimethoxybenzoyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}ethyl)-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate [ACD/IUPAC Name]
(1R,5S)-8-(2-{(1S,5S)-3-[(3,4-Dimethoxybenzoyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}ethyl)-8-azabicyclo[3.2.1]oct-3-yl-3,4-dimethoxybenzoat [German] [ACD/IUPAC Name]
3,4-Diméthoxybenzoate de (1R,5S)-8-(2-{(1S,5S)-3-[(3,4-diméthoxybenzoyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}éthyl)-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-dimethoxy-, (1R,5S)-8-[2-[(1S,5S)-3-[(3,4-dimethoxybenzoyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl]ethyl]-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
[(1S,5R)-8-[2-[(1S,5S)-3-(3,4-DIMETHOXYBENZOYL)OXY-8-AZABICYCLO[3.2.1]OCTAN-8-YL]ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] 3,4-DIMETHOXYBENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.51
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 12.13
ACD/KOC (pH 7.4): 35.41
Polar Surface Area: 96 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 475.8±5.0 cm3

Click to predict properties on the Chemicalize site


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