ChemSpider 2D Image | N,N'-(1,2-Ethanediylbis{imino[(7S)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-10,7-diyl]})diacetamide | C44H50N4O10

N,N'-(1,2-Ethanediylbis{imino[(7S)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-10,7-diyl]})diacetamide

  • Molecular FormulaC44H50N4O10
  • Average mass794.889 Da
  • Monoisotopic mass794.352722 Da
  • ChemSpider ID17460772

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N,N'-[1,2-ethanediylbis[imino[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalene-10,7-diyl]]]bis- [ACD/Index Name]
N,N'-(1,2-Ethandiylbis{imino[(7S)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10,7-diyl]})diacetamid [German] [ACD/IUPAC Name]
N,N'-(1,2-Ethanediylbis{imino[(7S)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-10,7-diyl]})diacetamide [ACD/IUPAC Name]
N,N'-(1,2-Éthanediylbis{imino[(7S)-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalène-10,7-diyl]})diacétamide [French] [ACD/IUPAC Name]
401524-32-1 [RN]
MCULE-5107077157
MolPort-000-773-343
N-[(7S)-10-[2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
STOCK1N-03540

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1146.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 169.6±3.0 kJ/mol
    Flash Point: 646.9±34.3 °C
    Index of Refraction: 1.634
    Molar Refractivity: 215.0±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.57
    ACD/KOC (pH 5.5): 430.36
    ACD/LogD (pH 7.4): 2.31
    ACD/BCF (pH 7.4): 33.58
    ACD/KOC (pH 7.4): 430.49
    Polar Surface Area: 172 Å2
    Polarizability: 85.2±0.5 10-24cm3
    Surface Tension: 61.4±5.0 dyne/cm
    Molar Volume: 601.0±5.0 cm3

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