ChemSpider 2D Image | 9-(alpha-L-Arabinofuranosyl)-6-(methylsulfanyl)-9H-purine | C11H14N4O4S

9-(α-L-Arabinofuranosyl)-6-(methylsulfanyl)-9H-purine

  • Molecular FormulaC11H14N4O4S
  • Average mass298.318 Da
  • Monoisotopic mass298.073578 Da
  • ChemSpider ID26329855
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

9-(α-L-Arabinofuranosyl)-6-(methylsulfanyl)-9H-purin [German] [ACD/IUPAC Name]
9-(α-L-Arabinofuranosyl)-6-(methylsulfanyl)-9H-purine [ACD/IUPAC Name]
9-(α-L-Arabinofuranosyl)-6-(méthylsulfanyl)-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-α-L-arabinofuranosyl-6-(methylthio)- [ACD/Index Name]
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-[6-(methylsulfanyl)-9H-purin-9-yl]oxolane-3,4-diol
50-66-8 [RN]
Methylthioinosine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 636.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.6±34.3 °C
Index of Refraction: 1.822
Molar Refractivity: 70.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.75
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.75
Polar Surface Area: 139 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 83.0±7.0 dyne/cm
Molar Volume: 161.1±7.0 cm3

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