ChemSpider 2D Image | [(3aR,5aR,8aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol | C12H20O6

[(3aR,5aR,8aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol

  • Molecular FormulaC12H20O6
  • Average mass260.284 Da
  • Monoisotopic mass260.125977 Da
  • ChemSpider ID32697267

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aR,5aR,8aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol [ACD/IUPAC Name]
[(3aR,5aR,8aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol [German] [ACD/IUPAC Name]
[(3aR,5aR,8aR,8bR)-2,2,7,7-Tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]méthanol [French] [ACD/IUPAC Name]
2,3:4,5-di-O-isopropylidene-β-D-fructopyranose
205582-81-6 [RN]
20880-92-6 [RN]
Diacetone-β-D-fructose
MFCD00022183 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 332.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±6.0 kJ/mol
    Flash Point: 154.9±26.5 °C
    Index of Refraction: 1.468
    Molar Refractivity: 61.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 36.18
    ACD/KOC (pH 5.5): 454.08
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 36.18
    ACD/KOC (pH 7.4): 454.08
    Polar Surface Area: 66 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 220.3±3.0 cm3

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