ChemSpider 2D Image | Dibenzyl (4R,5R)-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,3-dioxolane-4,5-dicarboxylate | C25H28O8

Dibenzyl (4R,5R)-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,3-dioxolane-4,5-dicarboxylate

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID58802372

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5R)-2-{2-[(2-Méthyl-2-propanyl)oxy]-2-oxoéthyl}-1,3-dioxolane-4,5-dicarboxylate de dibenzyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-4,5-dicarboxylic acid, 2-[2-(1,1-dimethylethoxy)-2-oxoethyl]-, bis(phenylmethyl) ester, (4R,5R)- [ACD/Index Name]
Dibenzyl (4R,5R)-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,3-dioxolane-4,5-dicarboxylate [ACD/IUPAC Name]
Dibenzyl-(4R,5R)-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,3-dioxolan-4,5-dicarboxylat [German] [ACD/IUPAC Name]
(4R,5R)-Dibenzyl 2-(2-(t-butoxy)-2-oxoethyl)-1,3-dioxolane-4,5-dicarboxylate
(4R,5R)-Dibenzyl 2-(2-(Tert-Butoxy)-2-Oxoethyl)-1,3-Dioxolane-4,5-Dicarboxylate
2504147-91-3 [RN]
MFCD30471977

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 543.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.1±3.0 kJ/mol
    Flash Point: 231.9±28.8 °C
    Index of Refraction: 1.540
    Molar Refractivity: 117.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 4.93
    ACD/BCF (pH 5.5): 3315.68
    ACD/KOC (pH 5.5): 11524.46
    ACD/LogD (pH 7.4): 4.93
    ACD/BCF (pH 7.4): 3315.68
    ACD/KOC (pH 7.4): 11524.46
    Polar Surface Area: 97 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 374.6±3.0 cm3

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