ChemSpider 2D Image | 9-(2-Deoxy-2-fluoro-5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine | C10H13FN5O6P

9-(2-Deoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC10H13FN5O6P
  • Average mass349.212 Da
  • Monoisotopic mass349.058746 Da
  • ChemSpider ID58806465
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

9-(2-Deoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-Desoxy-2-fluor-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(2-deoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
68245-91-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 754.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.2±35.7 °C
Index of Refraction: 1.843
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 116.5±7.0 dyne/cm
Molar Volume: 155.3±7.0 cm3

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