ChemSpider 2D Image | 2-[4-(Ethoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tetrahydro-2-furanyl]adenosine | C20H25N7O7

2-[4-(Ethoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tetrahydro-2-furanyl]adenosine

  • Molecular FormulaC20H25N7O7
  • Average mass475.455 Da
  • Monoisotopic mass475.181549 Da
  • ChemSpider ID23292226

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[4-(Ethoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tetrahydro-2-furanyl]adenosin [German] [ACD/IUPAC Name]
2-[4-(Ethoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tetrahydro-2-furanyl]adenosine [ACD/IUPAC Name]
2-[4-(Éthoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tétrahydro-2-furanyl]adénosine [French] [ACD/IUPAC Name]
2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tetrahydrofuran-2-yl]adenosine
Adenosine, 2-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]-N-[(2R)-tetrahydro-2-furanyl]- [ACD/Index Name]
CHEMBL398588
ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398588/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 854.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 470.6±37.1 °C
Index of Refraction: 1.795
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.78
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.78
Polar Surface Area: 179 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 80.6±7.0 dyne/cm
Molar Volume: 264.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement