ChemSpider 2D Image | 6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(beta-L-xylofuranosyl)-9H-purin-2-amine | C17H18N6O7S

6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-9H-purin-2-amine

  • Molecular FormulaC17H18N6O7S
  • Average mass450.426 Da
  • Monoisotopic mass450.095764 Da
  • ChemSpider ID62569071

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Purin-2-imine, 3,9-dihydro-6-[[(2-hydroxy-5-nitrophenyl)methyl]thio]-9-β-L-xylofuranosyl- [ACD/Index Name]
6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-3,9-dihydro-2H-purin-2-imin [German] [ACD/IUPAC Name]
6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-3,9-dihydro-2H-purin-2-imine [ACD/IUPAC Name]
6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-3,9-dihydro-2H-purin-2-imine [French] [ACD/IUPAC Name]
6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
6-[(2-Hydroxy-5-nitrobenzyl)sulfanyl]-9-(β-L-xylofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-[[(2-hydroxy-5-nitrophenyl)methyl]thio]-9-β-L-xylofuranosyl- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 879.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 485.5±37.1 °C
Index of Refraction: 1.869
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 102.4±7.0 dyne/cm
Molar Volume: 229.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement