ChemSpider 2D Image | (3R)-3-({2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxy-1-pyrrolidinyl]-3-pyridinyl}ethynyl)quinuclidin-3-ol | C26H31N3O3

(3R)-3-({2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxy-1-pyrrolidinyl]-3-pyridinyl}ethynyl)quinuclidin-3-ol

  • Molecular FormulaC26H31N3O3
  • Average mass433.543 Da
  • Monoisotopic mass433.236542 Da
  • ChemSpider ID23317871

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-3-({2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxy-1-pyrrolidinyl]-3-pyridinyl}ethinyl)chinuclidin-3-ol [German] [ACD/IUPAC Name]
(3R)-3-({2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxy-1-pyrrolidinyl]-3-pyridinyl}ethynyl)quinuclidin-3-ol [ACD/IUPAC Name]
(3R)-3-({2-Benzyl-6-[(3R,4S)-3-hydroxy-4-méthoxy-1-pyrrolidinyl]-3-pyridinyl}éthynyl)quinuclidin-3-ol [French] [ACD/IUPAC Name]
(3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
1-Azabicyclo[2.2.2]octan-3-ol, 3-[2-[6-[(3R,4S)-3-hydroxy-4-methoxy-1-pyrrolidinyl]-2-(phenylmethyl)-3-pyridinyl]ethynyl]-, (3R)- [ACD/Index Name]
(R)-3-(2-(2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol
CHEMBL258717
E5S

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.0±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 16.52
Polar Surface Area: 69 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 329.0±5.0 cm3

Click to predict properties on the Chemicalize site


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