ChemSpider 2D Image | (1R,2R,3S,4R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol | C6H10O5

(1R,2R,3S,4R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol

  • Molecular FormulaC6H10O5
  • Average mass162.141 Da
  • Monoisotopic mass162.052826 Da
  • ChemSpider ID23253883
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1R,2R,3S,4R)-6,8-Dioxabicyclo[3.2.1]octan-2,3,4-triol [German] [ACD/IUPAC Name]
(1R,2R,3S,4R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol [ACD/IUPAC Name]
(1R,2R,3S,4R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol [French] [ACD/IUPAC Name]
(1R,2R,3S,4R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name)
(1R,2R,3S,4R,5S)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol [ACD/IUPAC Name]
1,6-Anhydro-b-D-galactopyranose
1,6-anhydrogalactopyranose
42744-19-4 [RN]
644-76-8 [RN]
galactopyranose, 1,6-anhydro-

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 383.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±6.0 kJ/mol
    Flash Point: 185.9±27.9 °C
    Index of Refraction: 1.620
    Molar Refractivity: 33.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.04
    ACD/LogD (pH 5.5): -0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.13
    ACD/LogD (pH 7.4): -0.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.13
    Polar Surface Area: 79 Å2
    Polarizability: 13.4±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 96.0±3.0 cm3

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