ChemSpider 2D Image | 6-[(4-Nitrobenzyl)sulfanyl]-9-(beta-D-ribofuranosyl)-9H-purin-2-amine | C17H18N6O6S

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

  • Molecular FormulaC17H18N6O6S
  • Average mass434.426 Da
  • Monoisotopic mass434.100861 Da
  • ChemSpider ID29787603

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

6-[(4-Nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-[(4-Nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
6-[(4-Nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-[[(4-nitrophenyl)methyl]thio]-9-β-D-ribofuranosyl- [ACD/Index Name]
2-Amino-6-[(4-nitrobenzyl)thio]-9-b-D-ribofuranosylpurine

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

Density: 1.9±0.1 g/cm3
Boiling Point: 858.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 472.9±37.1 °C
Index of Refraction: 1.845
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.54
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.57
Polar Surface Area: 211 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 94.6±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


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