ChemSpider 2D Image | 3-Deoxy-beta-D-xylo-hexopyranose | C6H12O5

3-Deoxy-β-D-xylo-hexopyranose

  • Molecular FormulaC6H12O5
  • Average mass164.156 Da
  • Monoisotopic mass164.068466 Da
  • ChemSpider ID26326944
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-Deoxy-β-D-xylo-hexopyranose [ACD/IUPAC Name]
3-Desoxy-β-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
3-Désoxy-β-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
β-D-xylo-Hexopyranose, 3-deoxy- [ACD/Index Name]
162427-43-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 396.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 193.9±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.23
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.23
Polar Surface Area: 90 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 107.0±3.0 cm3

Click to predict properties on the Chemicalize site






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