ChemSpider 2D Image | 3-O-Acetyl-1,5-anhydro-4,6-O-1,1-cyclohexanediyl-2-deoxy-D-arabino-hex-1-enitol | C14H20O5

3-O-Acetyl-1,5-anhydro-4,6-O-1,1-cyclohexanediyl-2-deoxy-D-arabino-hex-1-enitol

  • Molecular FormulaC14H20O5
  • Average mass268.306 Da
  • Monoisotopic mass268.131073 Da
  • ChemSpider ID31103200

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-O-Acetyl-1,5-anhydro-4,6-O-1,1-cyclohexandiyl-2-desoxy-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
3-O-Acetyl-1,5-anhydro-4,6-O-1,1-cyclohexanediyl-2-deoxy-D-arabino-hex-1-enitol [ACD/IUPAC Name]
3-O-Acétyl-1,5-anhydro-4,6-O-1,1-cyclohexanediyl-2-désoxy-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
D-arabino-Hex-1-enitol, 1,5-anhydro-4,6-O-cyclohexylidene-2-deoxy-, acetate [ACD/Index Name]
(4A'R,8'R,8a'S)-4',4a',8',8a'-tetrahydrospiro[cyclohexane-1,2'-pyrano[3,2-d][1,3]dioxin]-8'-yl acetate
2096496-02-3 [RN]
3-O-ACETYL-4,6-O-CYCLOHEXYLIDENE-D-GLUCAL
MFCD22989003 [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: 384.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 169.9±27.9 °C
    Index of Refraction: 1.525
    Molar Refractivity: 67.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.03
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.58
    ACD/KOC (pH 5.5): 393.16
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.58
    ACD/KOC (pH 7.4): 393.16
    Polar Surface Area: 54 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 43.4±5.0 dyne/cm
    Molar Volume: 220.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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