ChemSpider 2D Image | 5-Fluoro-3-(beta-D-ribofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine | C9H11FN6O4

5-Fluoro-3-(β-D-ribofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

  • Molecular FormulaC9H11FN6O4
  • Average mass286.220 Da
  • Monoisotopic mass286.082581 Da
  • ChemSpider ID57492109

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 5-fluoro-3-β-D-ribofuranosyl- [ACD/Index Name]
5-Fluor-3-(β-D-ribofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amin [German] [ACD/IUPAC Name]
5-Fluoro-3-(β-D-ribofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine [ACD/IUPAC Name]
5-Fluoro-3-(β-D-ribofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine [French] [ACD/IUPAC Name]
86480-37-7 [RN]
86480-39-9 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 777.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.2±35.7 °C
Index of Refraction: 1.961
Molar Refractivity: 58.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 152 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 117.6±7.0 dyne/cm
Molar Volume: 119.7±7.0 cm3

Click to predict properties on the Chemicalize site


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