ChemSpider 2D Image | 1,5:2,3-Dianhydro-4,6-O-benzylidene-D-allitol | C13H14O4

1,5:2,3-Dianhydro-4,6-O-benzylidene-D-allitol

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID28536872

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,5:2,3-Dianhydro-4,6-O-(phenylmethylene)-D-allitol
1,5:2,3-Dianhydro-4,6-O-benzyliden-D-allitol [German] [ACD/IUPAC Name]
1,5:2,3-Dianhydro-4,6-O-benzylidene-D-allitol [ACD/IUPAC Name]
1,5:2,3-Dianhydro-4,6-O-benzylidène-D-allitol [French] [ACD/IUPAC Name]
109428-30-0 [RN]
D-Allitol, 1,5:2,3-dianhydro-4,6-O-(phenylmethylene)- [ACD/Index Name]
(1aS,3aR,7aR,7bS)-6-phenyl-1a,2,3a,4,7a,7b-hexahydrooxireno[1,2]pyrano[3,5-d][1,3]dioxine
(1as,3ar,7ar,7bs)-6-phenylhexahydrooxireno[2,3:4,5]pyrano[3,2-d][1,3]dioxine
(1aS,3aR,7aR,7bS)-6-Phenylhexahydrooxireno[2',3':4,5]pyrano[3,2-d][1,3]dioxine
[109428-30-0] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 369.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.2±3.0 kJ/mol
    Flash Point: 156.9±33.3 °C
    Index of Refraction: 1.552
    Molar Refractivity: 59.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 45.63
    ACD/KOC (pH 5.5): 536.22
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 45.63
    ACD/KOC (pH 7.4): 536.22
    Polar Surface Area: 40 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 185.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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