ChemSpider 2D Image | N-Bicyclo[2.2.1]hept-2-yl-5'-chloro-5'-deoxyadenosine | C17H22ClN5O3

N-Bicyclo[2.2.1]hept-2-yl-5'-chloro-5'-deoxyadenosine

  • Molecular FormulaC17H22ClN5O3
  • Average mass379.841 Da
  • Monoisotopic mass379.141113 Da
  • ChemSpider ID24606026

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

Adenosine, N-bicyclo[2.2.1]hept-2-yl-5'-chloro-5'-deoxy- [ACD/Index Name]
N-Bicyclo[2.2.1]hept-2-yl-5'-chlor-5'-desoxyadenosin [German] [ACD/IUPAC Name]
N-Bicyclo[2.2.1]hept-2-yl-5'-chloro-5'-deoxyadenosine [ACD/IUPAC Name]
N-Bicyclo[2.2.1]hept-2-yl-5'-chloro-5'-désoxyadénosine [French] [ACD/IUPAC Name]
(?)-5'-Chloro-5'-deoxy-ENBA
(±)-5'-Chloro-5'-deoxy-ENBA
(±)-5'-Chloro-5'-deoxy-ENBA
(2R,3R,4S,5S)-2-(6-(bicyclo[2.2.1]heptan-2-ylamino)-9H-purin-9-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol
[103626-26-2] [RN]
103626-26-2 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3576
      Adenosine A1 Receptors Tocris Bioscience 3576
      Adenosine Receptors Tocris Bioscience 3576
      Highly selective A1 agonist Tocris Bioscience 3576
      Highly selective adenosine A1 receptor agonist (Ki values are 0.51, 1290, 1340 and 2740 nM at A1, A3, A2A and A2B receptors respectively). Reverses formaline-induced nocifensive behavior in mice; anti nociceptive. Tocris Bioscience 3576
      Highly selective adenosine A1 receptor agonist (Ki values are 0.51, 1290, 1340 and 2740 nM at A1, A3, A2A and A2B receptors respectively). Reverses formaline-induced nocifensive behavior in mice; antinociceptive. Tocris Bioscience 3576

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

Density: 1.9±0.1 g/cm3
Boiling Point: 675.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 362.0±34.3 °C
Index of Refraction: 1.864
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.29
ACD/KOC (pH 5.5): 379.55
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.62
ACD/KOC (pH 7.4): 383.93
Polar Surface Area: 105 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 80.2±7.0 dyne/cm
Molar Volume: 203.6±7.0 cm3

Click to predict properties on the Chemicalize site


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