ChemSpider 2D Image | DIMETHYLDIBENZYLIDENE SORBITOL | C24H30O6

DIMETHYLDIBENZYLIDENE SORBITOL

  • Molecular FormulaC24H30O6
  • Average mass414.491 Da
  • Monoisotopic mass414.204254 Da
  • ChemSpider ID18920707

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R)-1-[(4R,4aR,8aS)-2,6-Bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethandiol [German] [ACD/IUPAC Name]
(1R)-1-[(4R,4aR,8aS)-2,6-Bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol [ACD/IUPAC Name]
(1R)-1-[(4R,4aR,8aS)-2,6-Bis(3,4-diméthylphényl)tétrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-éthanediol [French] [ACD/IUPAC Name]
135861-56-2 [RN]
Bis(3,4-dimethylbenzylidene) sorbitol
DIMETHYLDIBENZYLIDENE SORBITOL
(1R)-1-((4R,4aR,8aS)-2,6-Bis(3,4-dimethylphenyl)tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
1,3:2,4-Bis(3,4-dimethylbenzylidene)-D-sorbitol
1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol
1,3:2,4-Bis(3,4-dimethylobenzylideno)sorbitol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII:ZR857KD5X9 [DBID]
ZR857KD5X9 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 611.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.5±3.0 kJ/mol
    Flash Point: 323.7±30.1 °C
    Index of Refraction: 1.563
    Molar Refractivity: 112.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.11
    ACD/LogD (pH 5.5): 4.49
    ACD/BCF (pH 5.5): 1509.77
    ACD/KOC (pH 5.5): 6562.40
    ACD/LogD (pH 7.4): 4.49
    ACD/BCF (pH 7.4): 1509.77
    ACD/KOC (pH 7.4): 6562.39
    Polar Surface Area: 77 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 346.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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