ChemSpider 2D Image | 5'-O-{[4-(Fluorosulfonyl)phenoxy](hydroxy)phosphoryl}adenosine | C16H17FN5O9PS

5'-O-{[4-(Fluorosulfonyl)phenoxy](hydroxy)phosphoryl}adenosine

  • Molecular FormulaC16H17FN5O9PS
  • Average mass505.371 Da
  • Monoisotopic mass505.046875 Da
  • ChemSpider ID168426

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-{[4-(Fluorosulfonyl)phenoxy](hydroxy)phosphoryl}adenosine [ACD/IUPAC Name]
5'-O-{[4-(Fluorosulfonyl)phénoxy](hydroxy)phosphoryl}adénosine [French] [ACD/IUPAC Name]
5'-O-{[4-(Fluorsulfonyl)phenoxy](hydroxy)phosphoryl}adenosin [German] [ACD/IUPAC Name]
Adenosine, 5'-O-[[4-(fluorosulfonyl)phenoxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-Adenylic acid, mono(4-(fluorosulfonyl)phenyl) ester
60397-89-9 [RN]
Adenosine-5'-(4-fluorosulfonylphenylphosphate)
Apfspp

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

Density: 2.0±0.1 g/cm3
Boiling Point: 804.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.4±37.1 °C
Index of Refraction: 1.784
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 98.7±7.0 dyne/cm
Molar Volume: 249.7±7.0 cm3

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