ChemSpider 2D Image | 1-(beta-D-Arabinofuranosyl)-2,4(1H,3H)-pyrimidinedithione | C9H12N2O4S2

1-(β-D-Arabinofuranosyl)-2,4(1H,3H)-pyrimidinedithione

  • Molecular FormulaC9H12N2O4S2
  • Average mass276.333 Da
  • Monoisotopic mass276.023834 Da
  • ChemSpider ID62654950

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(β-D-Arabinofuranosyl)-2,4(1H,3H)-pyrimidindithion [German] [ACD/IUPAC Name]
1-(β-D-Arabinofuranosyl)-2,4(1H,3H)-pyrimidinedithione [ACD/IUPAC Name]
1-(β-D-Arabinofuranosyl)-2,4(1H,3H)-pyrimidinedithione [French] [ACD/IUPAC Name]
1-(β-D-Arabinofuranosyl)-4-sulfanyl-2(1H)-pyrimidinethione [ACD/IUPAC Name]
1-(β-D-Arabinofuranosyl)-4-sulfanyl-2(1H)-pyrimidinethione [French] [ACD/IUPAC Name]
1-(β-D-Arabinofuranosyl)-4-sulfanyl-2(1H)-pyrimidinthion [German] [ACD/IUPAC Name]
2(1H)-Pyrimidinethione, 1-β-D-arabinofuranosyl-4-mercapto- [ACD/Index Name]
2,4(1H,3H)-Pyrimidinedithione, 1-β-D-arabinofuranosyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 512.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 264.0±32.9 °C
Index of Refraction: 1.794
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 151.7±7.0 cm3

Click to predict properties on the Chemicalize site


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