ChemSpider 2D Image | 9-[(3xi)-beta-D-threo-Pentofuranosyl]-3,9-dihydro-6H-purine-6-thione | C10H12N4O4S

9-[(3ξ)-β-D-threo-Pentofuranosyl]-3,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC10H12N4O4S
  • Average mass284.292 Da
  • Monoisotopic mass284.057922 Da
  • ChemSpider ID58783233

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

6H-Purine-6-thione, 3,9-dihydro-9-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
9-[(3ξ)-β-D-threo-Pentofuranosyl]-3,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
9-[(3ξ)-β-D-threo-Pentofuranosyl]-3,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
9-[(3ξ)-β-D-thréo-Pentofuranosyl]-3,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC 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: 714.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.0±35.7 °C
Index of Refraction: 1.904
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.46
Polar Surface Area: 144 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 92.5±7.0 dyne/cm
Molar Volume: 140.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement