ChemSpider 2D Image | 4-Thio-D-glucopyranose | C6H12O5S

4-Thio-D-glucopyranose

  • Molecular FormulaC6H12O5S
  • Average mass196.221 Da
  • Monoisotopic mass196.040543 Da
  • ChemSpider ID61667366

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-Thio-D-glucopyranose [German] [ACD/IUPAC Name]
4-Thio-D-glucopyranose [ACD/IUPAC Name]
4-Thio-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-thio- [ACD/Index Name]
2089594-66-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 423.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 209.8±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 43.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.39
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.16
Polar Surface Area: 129 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 82.1±5.0 dyne/cm
Molar Volume: 123.6±5.0 cm3

Click to predict properties on the Chemicalize site


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