ChemSpider 2D Image | 7-{2-Deoxy-2-fluoro-5-O-[2-(methylamino)-7-quinolinyl]-beta-D-arabinofuranosyl}-5-(1-isopropyl-1H-imidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C27H29FN8O3

7-{2-Deoxy-2-fluoro-5-O-[2-(methylamino)-7-quinolinyl]-β-D-arabinofuranosyl}-5-(1-isopropyl-1H-imidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC27H29FN8O3
  • Average mass532.569 Da
  • Monoisotopic mass532.234680 Da
  • ChemSpider ID129299910

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

7-{2-Deoxy-2-fluoro-5-O-[2-(methylamino)-7-quinolinyl]-β-D-arabinofuranosyl}-5-(1-isopropyl-1H-imidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-{2-Desoxy-2-fluor-5-O-[2-(methylamino)-7-chinolinyl]-β-D-arabinofuranosyl}-5-(1-isopropyl-1H-imidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-{2-Désoxy-2-fluoro-5-O-[2-(méthylamino)-7-quinoléinyl]-β-D-arabinofuranosyl}-5-(1-isopropyl-1H-imidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[2-deoxy-2-fluoro-5-O-[2-(methylamino)-7-quinolinyl]-β-D-arabinofuranosyl]-5-[1-(1-methylethyl)-1H-imidazol-4-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 875.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.3±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 16.00
ACD/KOC (pH 7.4): 225.50
Polar Surface Area: 138 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 347.9±7.0 cm3

Click to predict properties on the Chemicalize site


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