ChemSpider 2D Image | (5xi)-5-Thio-D-xylo-hexopyranose | C6H12O5S

(5ξ)-5-Thio-D-xylo-hexopyranose

  • Molecular FormulaC6H12O5S
  • Average mass196.221 Da
  • Monoisotopic mass196.040543 Da
  • ChemSpider ID61228367

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5ξ)-5-Thio-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
(5ξ)-5-Thio-D-xylo-hexopyranose [ACD/IUPAC Name]
(5ξ)-5-Thio-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
D-xylo-Hexopyranose, 5-thio-, (5ξ)- [ACD/Index Name]
2089582-18-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 401.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 195.0±27.4 °C
Index of Refraction: 1.707
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.72
Polar Surface Area: 126 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 87.3±3.0 dyne/cm
Molar Volume: 112.4±3.0 cm3

Click to predict properties on the Chemicalize site


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