ChemSpider 2D Image | 9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE | C12H16N4O4

9-(6-DEOXY-α-L-TALOFURANOSYL)-6-METHYLPURINE

  • Molecular FormulaC12H16N4O4
  • Average mass280.280 Da
  • Monoisotopic mass280.117157 Da
  • ChemSpider ID26329863
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

9-(6-Deoxy-α-L-altrofuranosyl)-6-methyl-9H-purine [ACD/IUPAC Name]
9-(6-DEOXY-α-L-TALOFURANOSYL)-6-METHYLPURINE
9-(6-Desoxy-α-L-altrofuranosyl)-6-methyl-9H-purin [German] [ACD/IUPAC Name]
9-(6-Désoxy-α-L-altrofuranosyl)-6-méthyl-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-(6-deoxy-α-L-altrofuranosyl)-6-methyl- [ACD/Index Name]
(2S,3R,4R,5R)-2-[(1S)-1-hydroxyethyl]-5-(6-methyl-9H-purin-9-yl)oxolane-3,4-diol
(2S,3R,4R,5R)-2-[(1S)-1-hydroxyethyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
9-(6-DEOXY-β-D-ALLOFURANOSYL)-6-METHYLPURINE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 578.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±32.9 °C
Index of Refraction: 1.765
Molar Refractivity: 66.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.61
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.86
Polar Surface Area: 114 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 161.8±7.0 cm3

Click to predict properties on the Chemicalize site






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