ChemSpider 2D Image | 2-Fluoroadenosine 5'-(tetrahydrogen triphosphate) | C10H15FN5O13P3

2-Fluoroadenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC10H15FN5O13P3
  • Average mass525.172 Da
  • Monoisotopic mass524.986328 Da
  • ChemSpider ID141104
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-Fluoradenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2-Fluoroadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2-Fluoroadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2-fluoro-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(((2R,3S,4R,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
1492-62-2 [RN]
2-fluoroadenosine-5'-triphosphat
2-Fluoro-ATP
Adenosine 5'-(tetrahydrogen triphosphate), 2-fluoro-

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1006.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.8±3.0 kJ/mol
Flash Point: 562.3±37.1 °C
Index of Refraction: 1.884
Molar Refractivity: 89.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.55
ACD/LogD (pH 5.5): -10.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 186.2±7.0 dyne/cm
Molar Volume: 195.3±7.0 cm3

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