ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C15H22FN5O13P2

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

  • Molecular FormulaC15H22FN5O13P2
  • Average mass561.307 Da
  • Monoisotopic mass561.067322 Da
  • ChemSpider ID26326204

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

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

Density: 2.4±0.1 g/cm3
Boiling Point: 983.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.2±3.0 kJ/mol
Flash Point: 548.7±37.1 °C
Index of Refraction: 1.834
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -8.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 133.1±7.0 dyne/cm
Molar Volume: 235.8±7.0 cm3

Click to predict properties on the Chemicalize site


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