ChemSpider 2D Image | 2-Fluoro-2'-deoxyadenosine | C10H12FN5O3

2-Fluoro-2'-deoxyadenosine

  • Molecular FormulaC10H12FN5O3
  • Average mass269.232 Da
  • Monoisotopic mass269.092407 Da
  • ChemSpider ID26329869

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Fluoro-2'-deoxyadenosine
9-(2-Deoxy-α-L-erythro-pentofuranosyl)-2-fluoro-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-Desoxy-α-L-erythro-pentofuranosyl)-2-fluor-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-α-L-érythro-pentofuranosyl)-2-fluoro-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(2-deoxy-α-L-erythro-pentofuranosyl)-2-fluoro- [ACD/Index Name]
(2S,3R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

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

Density: 2.0±0.1 g/cm3
Boiling Point: 696.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.1±34.3 °C
Index of Refraction: 1.834
Molar Refractivity: 59.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.76
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.76
Polar Surface Area: 119 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 85.9±7.0 dyne/cm
Molar Volume: 133.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement