ChemSpider 2D Image | 9-(alpha-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-9H-purin-2-amine | C17H18N6O6S

9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-9H-purin-2-amine

  • Molecular FormulaC17H18N6O6S
  • Average mass434.426 Da
  • Monoisotopic mass434.100861 Da
  • ChemSpider ID62575145

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Purin-2-imine, 9-α-D-arabinofuranosyl-3,9-dihydro-6-[[(4-nitrophenyl)methyl]thio]- [ACD/Index Name]
9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-3,9-dihydro-2H-purin-2-imin [German] [ACD/IUPAC Name]
9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-3,9-dihydro-2H-purin-2-imine [ACD/IUPAC Name]
9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-3,9-dihydro-2H-purin-2-imine [French] [ACD/IUPAC Name]
9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-9H-purin-2-amine [ACD/IUPAC Name]
9-(α-D-Arabinofuranosyl)-6-[(4-nitrobenzyl)sulfanyl]-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-α-D-arabinofuranosyl-6-[[(4-nitrophenyl)methyl]thio]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 819.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.3±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: -0.60
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.58
Polar Surface Area: 207 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


Advertisement