ChemSpider 2D Image | 1-{[6-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-6-oxohexanoyl]oxy}-2,5-pyrrolidinedione | C25H22N2O5

1-{[6-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-6-oxohexanoyl]oxy}-2,5-pyrrolidinedione

  • Molecular FormulaC25H22N2O5
  • Average mass430.453 Da
  • Monoisotopic mass430.152863 Da
  • ChemSpider ID65791036

More details:

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

1-{[6-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-6-oxohexanoyl]oxy}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-{[6-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-6-oxohexanoyl]oxy}-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-{[6-(11,12-Didéhydrodibenzo[b,f]azocin-5(6H)-yl)-6-oxohexanoyl]oxy}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-[[6-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-1,6-dioxohexyl]oxy]- [ACD/Index Name]
(2,5-dioxopyrrolidin-1-yl) 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoate
1384870-47-6 [RN]
Azadibenzocyclooctyne-NHS ester
DBCO-C6-NHS ester
DBCO-C6-NHS-ester
DBCO-NHS ester 2
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 685.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.5±3.0 kJ/mol
    Flash Point: 368.4±34.3 °C
    Index of Refraction: 1.660
    Molar Refractivity: 115.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 135.66
    ACD/KOC (pH 5.5): 1169.57
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 135.66
    ACD/KOC (pH 7.4): 1169.57
    Polar Surface Area: 84 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 70.3±5.0 dyne/cm
    Molar Volume: 313.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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