ChemSpider 2D Image | 9-(2-Deoxy-alpha-L-erythro-pentofuranosyl)-9H-purine-6-thiol | C10H12N4O3S

9-(2-Deoxy-α-L-erythro-pentofuranosyl)-9H-purine-6-thiol

  • Molecular FormulaC10H12N4O3S
  • Average mass268.292 Da
  • Monoisotopic mass268.063019 Da
  • ChemSpider ID62398185

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6H-Purine-6-thione, 9-(2-deoxy-α-L-erythro-pentofuranosyl)-1,9-dihydro- [ACD/Index Name]
9-(2-Deoxy-α-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
9-(2-Deoxy-α-L-erythro-pentofuranosyl)-9H-purine-6-thiol [ACD/IUPAC Name]
9-(2-Desoxy-α-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
9-(2-Désoxy-α-L-érythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
9-(2-Desoxy-α-L-erythro-pentofuranosyl)-9H-purin-6-thiol [German] [ACD/IUPAC Name]
9-(2-Désoxy-α-L-érythro-pentofuranosyl)-9H-purine-6-thiol [French] [ACD/IUPAC Name]
9H-Purine-6-thiol, 9-(2-deoxy-α-L-erythro-pentofuranosyl)- [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: 596.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.5±32.9 °C
Index of Refraction: 1.864
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 142.8±7.0 cm3

Click to predict properties on the Chemicalize site


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