ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-1H-1,2,4-triazol-3-yl-L-alloisoleucinamide | C29H36N6O6

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

  • Molecular FormulaC29H36N6O6
  • Average mass564.633 Da
  • Monoisotopic mass564.269653 Da
  • ChemSpider ID60552894

  • 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-1H-1,2,4-triazol-3-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-1H-1,2,4-triazol-3-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-1H-1,2,4-triazol-3-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-1H-1,2,4-triazol-3-yl-, (2S,3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.33
ACD/KOC (pH 5.5): 278.94
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.33
ACD/KOC (pH 7.4): 278.89
Polar Surface Area: 157 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 429.5±5.0 cm3

Click to predict properties on the Chemicalize site


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