ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-4-yl)-L-alloisoleucinamide | C36H42N4O6

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-4-yl)-L-alloisoleucinamide

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID30716933

  • defined stereocentres - 3 of 3 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-(1-methyl-1H-indol-4-yl)-L-alloisoleucinamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-4-yl)-L-alloisoleucinamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-(1-méthyl-1H-indol-4-yl)-L-alloisoleucinamide [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]-3-methyl-N-(1-methyl-1H-indol-4-yl)-, (2S,3R)- [ACD/Index Name]
(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-3-methyl-N-(1-methyl-1H-indol-4-yl)pentanamide
(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-3-methyl-N-(1-methylindol-4-yl)pentanamide
1574292-00-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 951.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 138.6±3.0 kJ/mol
    Flash Point: 529.3±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 174.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.05
    ACD/LogD (pH 5.5): 4.21
    ACD/BCF (pH 5.5): 937.95
    ACD/KOC (pH 5.5): 4667.33
    ACD/LogD (pH 7.4): 4.21
    ACD/BCF (pH 7.4): 938.10
    ACD/KOC (pH 7.4): 4668.06
    Polar Surface Area: 120 Å2
    Polarizability: 69.1±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 498.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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