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Search term: OC[C@H]1O[C@H](O)[C@H](O)C[C@H]1O (Found by conversion of search term to chemical structure (full match))

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

3-Deoxy-α-D-xylo-hexopyranose

  • Molecular FormulaC6H12O5
  • Average mass164.156 Da
  • Monoisotopic mass164.068466 Da
  • ChemSpider ID32696897
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-Deoxy-α-D-xylo-hexopyranose [ACD/IUPAC Name]
3-Desoxy-α-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
3-Désoxy-α-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
α-D-xylo-Hexopyranose, 3-deoxy- [ACD/Index Name]
162427-42-1 [RN]
2,4,5,6-tetrahydroxyhexanal
3-Deoxy-D-galactopyranose
3-Deoxy-D-xylo-hexose [ACD/IUPAC Name]
4005-35-0 [RN]
MFCD08457745 [MDL number]

    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

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