ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C15H22FN5O12P2

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate

  • Molecular FormulaC15H22FN5O12P2
  • Average mass545.307 Da
  • Monoisotopic mass545.072449 Da
  • ChemSpider ID25060492

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3R,4R)-4-fluor-3-hydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl [(2r,3r,4r)-4-Fluoro-3-Hydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3R,4R)-4-fluoro-3-hydroxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
AVU

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

Density: 2.3±0.1 g/cm3
Boiling Point: 903.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 500.2±37.1 °C
Index of Refraction: 1.811
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.96
ACD/LogD (pH 5.5): -8.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 123.5±7.0 dyne/cm
Molar Volume: 238.5±7.0 cm3

Click to predict properties on the Chemicalize site


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