ChemSpider 2D Image | 7-(2-C-Ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C13H14N4O4

7-(2-C-Ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC13H14N4O4
  • Average mass290.275 Da
  • Monoisotopic mass290.101501 Da
  • ChemSpider ID26376187

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1044589-82-3 [RN]
7-(2-C-Ethinyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-(2-C-Ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7-(2-C-Ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-(2-C-Éthynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(2-C-ethynyl-β-D-ribofuranosyl)- [ACD/Index Name]
(2R,3R,4R,5R)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
(2R,3R,4R,5R)-2-(4-Amino-pyrrolo[2,3-D]pyrimidin-7-YL)-3-ethynyl-5-hydroxymethyl-tetrahydrofuran-3,4-diol
[1044589-82-3] [RN]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Antiviral; selective flavivirus inhibitor Tocris Bioscience 6045
      Antivirals Tocris Bioscience 6045
      Other Pharmacology Tocris Bioscience 6045
      Selective flavivirus inhibitor. Adenosine analog. Inhibits dengue virus (EC50 = 0.64 muM), hepatitis C virus and cellular entry of Zika virus. Reduces increases of cytokines and NS1 and prevents death in dengue-infected mice. Active in vivo. Orally bioavailable. Tocris Bioscience 6045

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.740
Molar Refractivity: 71.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.13
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.74
Polar Surface Area: 127 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 73.7±7.0 dyne/cm
Molar Volume: 176.2±7.0 cm3

Click to predict properties on the Chemicalize site


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