ChemSpider 2D Image | 9-(2,3-Dideoxy-3-fluoro-beta-D-threo-pentofuranosyl)-9H-purine-2,6-diamine | C10H13FN6O2

9-(2,3-Dideoxy-3-fluoro-β-D-threo-pentofuranosyl)-9H-purine-2,6-diamine

  • Molecular FormulaC10H13FN6O2
  • Average mass268.248 Da
  • Monoisotopic mass268.108398 Da
  • ChemSpider ID114812545
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

9-(2,3-Dideoxy-3-fluoro-β-D-threo-pentofuranosyl)-9H-purine-2,6-diamine [ACD/IUPAC Name]
9-(2,3-Didésoxy-3-fluoro-β-D-thréo-pentofuranosyl)-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
9-(2,3-Didesoxy-3-fluor-β-D-threo-pentofuranosyl)-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
9H-Purine-2,6-diamine, 9-(2,3-dideoxy-3-fluoro-β-D-threo-pentofuranosyl)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 656.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.8±34.3 °C
Index of Refraction: 1.860
Molar Refractivity: 60.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.39
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.80
Polar Surface Area: 125 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 88.5±7.0 dyne/cm
Molar Volume: 133.3±7.0 cm3

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