ChemSpider 2D Image | 5-Fluoro-7-(beta-D-ribofuranosyl)octahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C11H18FN3O5

5-Fluoro-7-(β-D-ribofuranosyl)octahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC11H18FN3O5
  • Average mass291.276 Da
  • Monoisotopic mass291.123047 Da
  • ChemSpider ID109507825

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 5-fluorooctahydro-7-β-D-ribofuranosyl- [ACD/Index Name]
5-Fluor-7-(β-D-ribofuranosyl)octahydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
5-Fluoro-7-(β-D-ribofuranosyl)octahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
5-Fluoro-7-(β-D-ribofuranosyl)octahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 641.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 64.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 114 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 181.2±5.0 cm3

Click to predict properties on the Chemicalize site


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