ChemSpider 2D Image | 5'-{[4-(Aminooxy)butyl](methyl)amino}-5'-deoxy-8-vinyladenosine | C17H27N7O4

5'-{[4-(Aminooxy)butyl](methyl)amino}-5'-deoxy-8-vinyladenosine

  • Molecular FormulaC17H27N7O4
  • Average mass393.441 Da
  • Monoisotopic mass393.212463 Da
  • ChemSpider ID25060153

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
5'-{[4-(Aminooxy)butyl](methyl)amino}-5'-deoxy-8-vinyladenosine [ACD/IUPAC Name]
5'-{[4-(Aminooxy)butyl](methyl)amino}-5'-desoxy-8-vinyladenosin [German] [ACD/IUPAC Name]
5'-{[4-(Aminooxy)butyl](méthyl)amino}-5'-désoxy-8-vinyladénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[[4-(aminooxy)butyl]methylamino]-5'-deoxy-8-ethenyl- [ACD/Index Name]
(2R,3R,4S,5R)-2-(6-amino-8-ethenyl-9H-purin-9-yl)-5-({[4-(aminooxy)butyl](methyl)amino}methyl)oxolane-3,4-diol
(2R,3R,4S,5R)-2-(6-amino-8-ethenylpurin-9-yl)-5-({[4-(aminooxy)butyl](methyl)amino}methyl)oxolane-3,4-diol
M8E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 714.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.0±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 255.7±7.0 cm3

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