ChemSpider 2D Image | N-Bicyclo[2.2.1]hept-1-yl-2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]adenosine | C23H29N7O6

N-Bicyclo[2.2.1]hept-1-yl-2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]adenosine

  • Molecular FormulaC23H29N7O6
  • Average mass499.520 Da
  • Monoisotopic mass499.217926 Da
  • ChemSpider ID23292256

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

Adenosine, N-bicyclo[2.2.1]hept-1-yl-2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
N-Bicyclo[2.2.1]hept-1-yl-2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]adenosin [German] [ACD/IUPAC Name]
N-Bicyclo[2.2.1]hept-1-yl-2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]adenosine [ACD/IUPAC Name]
N-Bicyclo[2.2.1]hept-1-yl-2-[4-(éthoxycarbonyl)-1H-pyrazol-1-yl]adénosine [French] [ACD/IUPAC Name]
CHEMBL234974
ethyl 1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 837.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.3±37.1 °C
Index of Refraction: 1.818
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 107.41
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.83
ACD/KOC (pH 7.4): 107.41
Polar Surface Area: 170 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 81.0±7.0 dyne/cm
Molar Volume: 283.0±7.0 cm3

Click to predict properties on the Chemicalize site


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