ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphat e | C16H24FN5O15P2

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphat e

  • Molecular FormulaC16H24FN5O15P2
  • Average mass607.332 Da
  • Monoisotopic mass607.072815 Da
  • ChemSpider ID111759

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphat e [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(3R,4S,5S,6R)-3-fluor-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat (n on-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H -pyran-2-yle [French] [ACD/IUPAC Name]
67341-45-1 [RN]
Gdp-fglc
Guanosine 5'-(trihydrogen diphosphate), 2-(((3α,5β,7α)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl)amino)-, (S)-
Guanosine-2-deoxy-2-fluoro-D-glucose diphosphate ester

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1037.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.0±3.0 kJ/mol
Flash Point: 581.5±37.1 °C
Index of Refraction: 1.852
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -8.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 142.5±7.0 dyne/cm
Molar Volume: 246.2±7.0 cm3

Click to predict properties on the Chemicalize site


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