ChemSpider 2D Image | 5'-O-{[4-Cyano(~2~H_4_)phenyl](~2~H_2_)methyl}-8-[(3,4-dichlorobenzyl)amino]adenosine | C25H17D6Cl2N7O4

5'-O-{[4-Cyano(2H4)phenyl](2H2)methyl}-8-[(3,4-dichlorobenzyl)amino]adenosine

  • Molecular FormulaC25H17D6Cl2N7O4
  • Average mass562.438 Da
  • Monoisotopic mass561.156494 Da
  • ChemSpider ID107444137

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5'-O-{[4-Cyan(2H4)phenyl](2H2)methyl}-8-[(3,4-dichlorbenzyl)amino]adenosin [German] [ACD/IUPAC Name]
5'-O-{[4-Cyano(2H4)phenyl](2H2)methyl}-8-[(3,4-dichlorobenzyl)amino]adenosine [ACD/IUPAC Name]
5'-O-{[4-Cyano(2H4)phényl](2H2)méthyl}-8-[(3,4-dichlorobenzyl)amino]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(4-cyanophenyl-2,3,5,6-d4)methyl-d2]-8-[[(3,4-dichlorophenyl)methyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 856.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.7±37.1 °C
Index of Refraction: 1.748
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 199.26
ACD/KOC (pH 5.5): 1425.01
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.80
ACD/KOC (pH 7.4): 1865.15
Polar Surface Area: 164 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 341.2±7.0 cm3

Click to predict properties on the Chemicalize site


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