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-(3,4-dimethoxyphenyl)-2-methylpropyl]-L-leucinamide | C39H51N3O8

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-L-leucinamide

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID44206585

  • defined stereocentres - 2 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-(3,4-dimethoxyphenyl)-2-methylpropyl]-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-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-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-[1-(3,4-diméthoxyphényl)-2-méthylpropyl]-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-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-, (2S)- [ACD/Index Name]
(2S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)-4-methylpentanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 932.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 517.6±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 191.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 896.59
ACD/KOC (pH 5.5): 4519.24
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 896.59
ACD/KOC (pH 7.4): 4519.26
Polar Surface Area: 133 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 572.0±5.0 cm3

Click to predict properties on the Chemicalize site


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