ChemSpider 2D Image | 1,4:3,6-Dianhydro-2,5-bis-O-(4-hydroxybenzoyl)-D-glucitol | C20H18O8

1,4:3,6-Dianhydro-2,5-bis-O-(4-hydroxybenzoyl)-D-glucitol

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID18911121

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diyl bis(4-hydroxybenzoate) [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2,5-bis-O-(4-hydroxybenzoyl)-D-glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2,5-bis-O-(4-hydroxybenzoyl)-D-glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2,5-bis-O-(4-hydroxybenzoyl)-D-glucitol [French] [ACD/IUPAC Name]
14659759 [Beilstein]
185756-31-4 [RN]
D-Glucitol, 1,4:3,6-dianhydro-, 2,5-bis(4-hydroxybenzoate)
D-Glucitol, 1,4:3,6-dianhydro-, bis(4-hydroxybenzoate) [ACD/Index Name]
T55 BO FOTJ DOVR DQ& HOVR DQ &&D-gluco Form [WLN]
Bis(4-hydroxybenzoyl)-1,4:3,6-dianhydrosorbitol
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 611.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.2±3.0 kJ/mol
    Flash Point: 220.5±25.0 °C
    Index of Refraction: 1.654
    Molar Refractivity: 94.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.24
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 171.47
    ACD/KOC (pH 5.5): 1380.69
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 112.12
    ACD/KOC (pH 7.4): 902.82
    Polar Surface Area: 112 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 72.6±5.0 dyne/cm
    Molar Volume: 258.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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