ChemSpider 2D Image | Dibenzyl 2,2'-[(1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)disulfanediyl]diacetate | C28H22O6S2

Dibenzyl 2,2'-[(1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)disulfanediyl]diacetate

  • Molecular FormulaC28H22O6S2
  • Average mass518.601 Da
  • Monoisotopic mass518.085754 Da
  • ChemSpider ID24703946

More details:

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

2,2'-[(1,4-Dioxo-1,4-dihydronaphtalène-2,3-diyl)disulfanediyl]diacétate de dibenzyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-[(1,4-dihydro-1,4-dioxo-2,3-naphthalenediyl)bis(thio)]bis-, bis(phenylmethyl) ester [ACD/Index Name]
Dibenzyl 2,2'-[(1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)disulfanediyl]diacetate [ACD/IUPAC Name]
Dibenzyl-2,2'-[(1,4-dioxo-1,4-dihydronaphthalin-2,3-diyl)disulfandiyl]diacetat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489996/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 323.9±19.5 °C
Index of Refraction: 1.673
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7193.92
ACD/KOC (pH 5.5): 20063.50
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7193.92
ACD/KOC (pH 7.4): 20063.50
Polar Surface Area: 137 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

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