ChemSpider 2D Image | N-Cyclohexyl-6-[(4-nitrobenzyl)sulfanyl]-9-(beta-D-ribofuranosyl)-9H-purin-2-amine | C23H28N6O6S

N-Cyclohexyl-6-[(4-nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amine

  • Molecular FormulaC23H28N6O6S
  • Average mass516.570 Da
  • Monoisotopic mass516.179077 Da
  • ChemSpider ID23301937

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9H-Purin-2-amine, N-cyclohexyl-6-[[(4-nitrophenyl)methyl]thio]-9-β-D-ribofuranosyl- [ACD/Index Name]
N-Cyclohexyl-6-[(4-nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
N-Cyclohexyl-6-[(4-nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
N-Cyclohexyl-6-[(4-nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
2-cyclohexylamino-6-(4-nitrobenzylthio)-9-β-D-ribofuranosylpurine
CHEMBL239669

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

Density: 1.7±0.1 g/cm3
Boiling Point: 845.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 464.9±37.1 °C
Index of Refraction: 1.783
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.98
ACD/KOC (pH 5.5): 487.68
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.01
ACD/KOC (pH 7.4): 488.04
Polar Surface Area: 197 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 77.5±7.0 dyne/cm
Molar Volume: 307.6±7.0 cm3

Click to predict properties on the Chemicalize site


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