ChemSpider 2D Image | 5'-Deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine | C18H22N6O6S

5'-Deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine

  • Molecular FormulaC18H22N6O6S
  • Average mass450.469 Da
  • Monoisotopic mass450.132141 Da
  • ChemSpider ID35034392

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-Deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine [ACD/IUPAC Name]
5'-Desoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-({[2-(2-hydroxyphényl)éthyl]sulfonyl}amino)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-[[[2-(2-hydroxyphenyl)ethyl]sulfonyl]amino]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 823.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 451.8±37.1 °C
Index of Refraction: 1.789
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.99
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.03
Polar Surface Area: 194 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 84.7±7.0 dyne/cm
Molar Volume: 253.1±7.0 cm3

Click to predict properties on the Chemicalize site


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