ChemSpider 2D Image | 6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-isobutylhexanamide | C31H43N3O6

6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-isobutylhexanamide

  • Molecular FormulaC31H43N3O6
  • Average mass553.690 Da
  • Monoisotopic mass553.315186 Da
  • ChemSpider ID30717234

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-isobutylhexanamid [German] [ACD/IUPAC Name]
6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-isobutylhexanamide [ACD/IUPAC Name]
6-{[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}-N-isobutylhexanamide [French] [ACD/IUPAC Name]
Hexanamide, 6-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-(2-methylpropyl)- [ACD/Index Name]
(S)-6-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-isobutylhexanamide
1574392-94-1 [RN]
6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(2-methylpropyl)hexanamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 864.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 125.6±3.0 kJ/mol
    Flash Point: 476.7±34.3 °C
    Index of Refraction: 1.570
    Molar Refractivity: 153.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.81
    ACD/KOC (pH 5.5): 477.32
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.88
    ACD/KOC (pH 7.4): 478.10
    Polar Surface Area: 115 Å2
    Polarizability: 61.0±0.5 10-24cm3
    Surface Tension: 50.0±5.0 dyne/cm
    Molar Volume: 469.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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