ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2-furyl)ethyl]-L-leucinamide | C33H41N3O7

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2-furyl)ethyl]-L-leucinamide

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID30718149

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2-furyl)ethyl]-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2-furyl)ethyl]-L-leucinamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-[2-(2-furyl)éthyl]-L-leucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[2-(2-furanyl)ethyl]-4-methyl-, (2S)- [ACD/Index Name]
(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[2-(furan-2-yl)ethyl]-4-methylpentanamide
(S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(2-(furan-2-yl)ethyl)-4-methylpentanamide
1574390-11-6 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 895.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 130.2±3.0 kJ/mol
    Flash Point: 495.5±34.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 161.8±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 142.33
    ACD/KOC (pH 5.5): 1210.43
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 142.33
    ACD/KOC (pH 7.4): 1210.43
    Polar Surface Area: 128 Å2
    Polarizability: 64.2±0.5 10-24cm3
    Surface Tension: 53.7±5.0 dyne/cm
    Molar Volume: 478.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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