ChemSpider 2D Image | N-[(7S)-1,2,3,9-Tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl](~2~H_3_)acetamide | C22H22D3NO6

N-[(7S)-1,2,3,9-Tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl](2H3)acetamide

  • Molecular FormulaC22H22D3NO6
  • Average mass402.456 Da
  • Monoisotopic mass402.187012 Da
  • ChemSpider ID48057436

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acetamide-d3, N-[(7S)-5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-1,2,3,9-Tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl](2H3)acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3,9-Tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl](2H3)acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3,9-Tétraméthoxy-10-oxo-5,6,7,10-tétrahydrobenzo[a]heptalén-7-yl](2H3)acétamide [French] [ACD/IUPAC Name]
1246818-69-8 [RN]
2,2,2-trideuterio-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
iso-colchicine-d3

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 726.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.0±3.0 kJ/mol
    Flash Point: 392.9±32.9 °C
    Index of Refraction: 1.585
    Molar Refractivity: 106.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.14
    ACD/KOC (pH 5.5): 96.28
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 4.14
    ACD/KOC (pH 7.4): 96.28
    Polar Surface Area: 83 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 50.5±5.0 dyne/cm
    Molar Volume: 318.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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