ChemSpider 2D Image | 2'-Deoxy-4'-ethynyl-2-fluoroadenosine | C12H12FN5O3

2'-Deoxy-4'-ethynyl-2-fluoroadenosine

  • Molecular FormulaC12H12FN5O3
  • Average mass293.254 Da
  • Monoisotopic mass293.092407 Da
  • ChemSpider ID31083266

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2'-Deoxy-4'-ethynyl-2-fluoroadenosine [ACD/IUPAC Name]
2'-Desoxy-4'-ethinyl-2-fluoradenosin [German] [ACD/IUPAC Name]
2'-Désoxy-4'-éthynyl-2-fluoroadénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-4'-C-ethynyl-2-fluoro- [ACD/Index Name]
(2R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 669.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.5±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.97
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.97
Polar Surface Area: 119 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 170.5±7.0 cm3

Click to predict properties on the Chemicalize site


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