ChemSpider 2D Image | (1R,2R,3R,4R,5S,6R)-3,6-Bis(benzyloxy)-1,2,4,5-cyclohexanetetrol | C20H24O6

(1R,2R,3R,4R,5S,6R)-3,6-Bis(benzyloxy)-1,2,4,5-cyclohexanetetrol

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID57596098

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3R,4R,5S,6R)-3,6-Bis(benzyloxy)-1,2,4,5-cyclohexanetetrol [ACD/IUPAC Name]
(1R,2R,3R,4R,5S,6R)-3,6-Bis(benzyloxy)-1,2,4,5-cyclohexanetétrol [French] [ACD/IUPAC Name]
(1R,2R,3R,4R,5S,6R)-3,6-Bis(benzyloxy)-1,2,4,5-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,4,5-Cyclohexanetetrol, 3,6-bis(phenylmethoxy)-, (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
(1R,2R,3R,4R,5S,6R)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrol
111408-68-5 [RN]
221555-39-1 [RN]
3,6-bis-o-benzyl-d,l-myo-inositol

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 532.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 276.1±30.1 °C
    Index of Refraction: 1.636
    Molar Refractivity: 96.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.32
    ACD/KOC (pH 5.5): 400.19
    ACD/LogD (pH 7.4): 2.25
    ACD/BCF (pH 7.4): 30.32
    ACD/KOC (pH 7.4): 400.18
    Polar Surface Area: 99 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 66.7±5.0 dyne/cm
    Molar Volume: 267.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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