ChemSpider 2D Image | 2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinofuranosyl]-9H-purin-6-amine | C10H15FN5O13P3

2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H15FN5O13P3
  • Average mass525.172 Da
  • Monoisotopic mass524.986328 Da
  • ChemSpider ID112406

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Fluor-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-arabinofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-fluoro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-arabinofuranosyl]- [ACD/Index Name]
2-F-Araatp
2-Fluoro-araatp
74832-57-8 [RN]
9H-Purin-6-amine, 2-fluoro-9-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-arabinofuranosyl)-
9β-D-Arabinofuranosyl-2-fluoroadenine 5'-triphosphate
9-β-D-Arabinofuranosyl-2-fluoroadenine 5'-triphosphate
More...

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

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

Click to predict properties on the Chemicalize site


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