ChemSpider 2D Image | 2-O-alpha-D-Glucopyranosyl-L-iditol | C12H24O11

2-O-α-D-Glucopyranosyl-L-iditol

  • Molecular FormulaC12H24O11
  • Average mass344.312 Da
  • Monoisotopic mass344.131866 Da
  • ChemSpider ID62580274
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

2-O-α-D-Glucopyranosyl-L-iditol [German] [ACD/IUPAC Name]
2-O-α-D-Glucopyranosyl-L-iditol [ACD/IUPAC Name]
2-O-α-D-Glucopyranosyl-L-iditol [French] [ACD/IUPAC Name]
L-Iditol, 2-O-α-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,6-pentol

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 788.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.2 mmHg at 25°C
    Enthalpy of Vaporization: 130.7±6.0 kJ/mol
    Flash Point: 430.7±32.9 °C
    Index of Refraction: 1.634
    Molar Refractivity: 72.7±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 9
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: -5.20
    ACD/LogD (pH 5.5): -4.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 201 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 109.2±5.0 dyne/cm
    Molar Volume: 203.1±5.0 cm3

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