ChemSpider 2D Image | N-(5-Acetamido-2-methoxyphenyl)-N~2~-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alloisoleucinamide | C36H44N4O8

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

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID44207050
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

N-(5-Acetamido-2-methoxyphenyl)-N2-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alloisoleucinamid [German] [ACD/IUPAC Name]
N-(5-Acetamido-2-methoxyphenyl)-N2-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alloisoleucinamide [ACD/IUPAC Name]
N-(5-Acétamido-2-méthoxyphényl)-N2-[(7S)-7-acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-L-alloisoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-3-methyl-, (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)-N-(5-acetamido-2-methoxyphenyl)-3-methylpentanamide
N1-[5-(acetylamino)-2-methoxyphenyl]-N2-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucinamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 968.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 539.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.31
ACD/KOC (pH 5.5): 1252.57
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.33
ACD/KOC (pH 7.4): 1252.74
Polar Surface Area: 153 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 520.9±5.0 cm3

Click to predict properties on the Chemicalize site






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