ChemSpider 2D Image | 2-[(1S,2R,4S,5S,6S)-3-Oxatricyclo[3.2.1.0~2,4~]oct-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridine-5,7(4H,6H)-dione | C19H25N3O3

2-[(1S,2R,4S,5S,6S)-3-Oxatricyclo[3.2.1.02,4]oct-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridine-5,7(4H,6H)-dione

  • Molecular FormulaC19H25N3O3
  • Average mass343.420 Da
  • Monoisotopic mass343.189606 Da
  • ChemSpider ID28528829

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-[(1S,2R,4S,5S,6S)-3-Oxatricyclo[3.2.1.02,4]oct-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridin-5,7(4H,6H)-dion [German] [ACD/IUPAC Name]
2-[(1S,2R,4S,5S,6S)-3-Oxatricyclo[3.2.1.02,4]oct-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridine-5,7(4H,6H)-dione [ACD/IUPAC Name]
2-[(1S,2R,4S,5S,6S)-3-Oxatricyclo[3.2.1.02,4]oct-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridine-5,7(4H,6H)-dione [French] [ACD/IUPAC Name]
3H-Imidazo[4,5-b]pyridine-5,7(4H,6H)-dione, 2-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]oct-6-yl]-4,6-dipropyl- [ACD/Index Name]
166374-49-8 [RN]
8-((2S,5,6-Exo)-5,6-epoxy-2-norbonyl)-1,3-dipropylxanthine
B3G45WC37L
Naxifylline [INN] [USAN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.5±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 6.52
ACD/KOC (pH 5.5): 115.64
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 6.38
ACD/KOC (pH 7.4): 113.26
Polar Surface Area: 79 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 269.8±3.0 cm3

Click to predict properties on the Chemicalize site


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