ChemSpider 2D Image | N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine | C27H31N5O6

N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID8567413

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

120442-40-2 [RN]
Adenosine, N-(2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl)-
Adenosine, N-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]- [ACD/Index Name]
N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosin [German] [ACD/IUPAC Name]
N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine [ACD/IUPAC Name]
N-[2-(3,5-Diméthoxyphényl)-2-(2-méthylphényl)éthyl]adénosine [French] [ACD/IUPAC Name]
N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine
(2R,3R,4S,5R)-2-(6-((2-(3,5-Dimethoxyphenyl)-2-(o-tolyl)ethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
(2R,3R,4S,5R)-2-[6-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
2-[6-[2-(3,5-DIMETHOXYPHENYL)-2-(2-METHYLPHENYL)-ETHYL]AMINOPURIN-9-YL]-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CGS 24012 [DBID]
Cgs-24012 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 823.7±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: 451.9±37.1 °C
Index of Refraction: 1.678
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.74
ACD/KOC (pH 5.5): 1228.19
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.95
ACD/KOC (pH 7.4): 1238.38
Polar Surface Area: 144 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 362.3±7.0 cm3

Click to predict properties on the Chemicalize site


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