ChemSpider 2D Image | N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]-9-pentofuranosyl-9H-purin-6-amine | C27H31N5O6

N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]-9-pentofuranosyl-9H-purin-6-amine

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID3051

More details:

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

9H-Purin-6-amine, N-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]-9-pentofuranosyl- [ACD/Index Name]
N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]-9-pentofuranosyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]-9-pentofuranosyl-9H-purin-6-amine [ACD/IUPAC Name]
N-[2-(3,5-Diméthoxyphényl)-2-(2-méthylphényl)éthyl]-9-pentofuranosyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
2-{6-[2-(3,5-Dimethoxy-phenyl)-2-o-tolyl-ethylamino]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol
2-{6-[2-(3,5-Dimethoxy-phenyl)-2-o-tolyl-ethylamino]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol(DPMA)

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

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