ChemSpider 2D Image | 5'-O-[({3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl}oxy)(hydroxy)phosphoryl]adenosine | C25H21FN7O9P

5'-O-[({3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl}oxy)(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC25H21FN7O9P
  • Average mass613.448 Da
  • Monoisotopic mass613.112244 Da
  • ChemSpider ID25061176

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl}oxy)(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[({3-[5-(2-Fluorophényl)-1,2,4-oxadiazol-3-yl]benzoyl}oxy)(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
5'-O-[({3-[5-(2-Fluorphenyl)-1,2,4-oxadiazol-3-yl]benzoyl}oxy)(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
Adenosine, 5'-O-[[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
M24

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

Density: 1.9±0.1 g/cm3
Boiling Point: 934.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 519.2±37.1 °C
Index of Refraction: 1.794
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 87.4±7.0 dyne/cm
Molar Volume: 329.8±7.0 cm3

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